Publications

Zwier Group Publications


Recent papers (past 5 years) are listed in reverse chronological order below. Older papers are arranged by project, again in reverse chronological order. Whenever possible, a link to the paper is provided. For many of our papers you will find the pdf icon on which you can click to download the pdf for that article, subject to the appropriate copyright notice.

Recent Papers

Flexible biomolecules and H-bonding | Lignin | Combustion Processes and Astrochemistry

Translation | Invited Contributions | Editorials


Recent Papers

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Di Zhang, Karl N. Blodgett, Xiao Zhu, Timothy S. Zwier, "Single Conformation Spectroscopy of Suberoylanilide Hydroxamic Acid: A Molecule Bites Its Tail." J. Phys. Chem. A., (2017).

Di Zhang, Sebastian Bocklitz, Timothy S. Zwier, "Broadband Microwave Spectroscopy of Prototypical Amino Alcohols and Polyamines: Competition between H-Bonded Cycles and Chains." J. Phys. Chem. A., 120(1) (2016).

Nicole L. Burke, Andrew F. DeBlase, James G. Redwine, John R. Hopkins, Scott A. McLuckey, Timothy S. Zwier, "Gas-Phase Folding of a Prototypical Protonated Pentapeptide: Spectroscopic Evidence for Formation of a Charge-Stabilized β-Hairpin." J.A.C.S., 138(8) (2016).

Patrick S. Walsh, Jacob C. Dean, Carl McBurney, Hyuk Kang, Samuel H. Gellman, Timothy S. Zwier, "Conformation-specific spectroscopy of capped glutamine-containing peptides: role of a single glutamine residue on peptide backbone preferences." Physical Chemistry Chemical Physics., 18(16) (2016).

Daniel P. Tabor, Daniel M. Hewett, Sebastian Bocklitz, Joseph A. Korn, Anthony J. Tomaine, Arun K. Ghosh, Timothy S. Zwier, Edwin L. Sibert, "Anharmonic modeling of the conformation-specific IR spectra of ethyl, n-propyl, and n-butylbenzene." J. Chem. Phys., 144(22) (2016).

Nathanael M. Kidwell, Deepali N. Mehta-Hurt, Joseph A. Korn, Timothy S. Zwier, "Infrared and electronic spectroscopy of the jet-cooled 5-methyl-2-furanylmethyl radical derived from the biofuel 2,5-dimethylfuran." J. Phys. Chem. A. 120(32) (2016).

Andrew F. DeBlase, Eric T. Dziekonski, John R. Hopkins, Nicole L. Burke, Huaming Sheng, Hilkka I. Kenttamaa, Scott A. McLuckey, Timothy S. Zwier, "Alkali Cation Chelation in Cold β-O-4 Tetralignol Complexes." J. Phys. Chem. A., 120(36) (2016).

Joseph R. Gord, Daniel M. Hewett, Alicia O. Hernandez-Castillo, Karl N. Blodgett, Matthew C. Rotondaro, Adalgisa Varuolo, Matthew A. Kubasik, Timothy S. Zwier, "Conformation-specific spectroscopy of capped, gas-phase Aib oligomers: Tests of the Aib residue as a 310-helix former." Physical Chemistry Chemical Physics, 18(36) (2016).

A.O. Hernandez-Castillo, Chamara Abeysekara, Brian M. Hays, Timothy S. Zwier, "Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy." J. Chem. Phys., 145(11) (2016).

Joseph A. Korn, Daniel P. Tabor, Edwin L. Sibert, Timothy S. Zwier, "Conformation-specific spectroscopy of alkyl benzyl radicals: Effects of a radical center on the CH stretch infrared spectrum of an alkyl chain." J. Chem. Phys., 145(12) (2016).

Patrick S. Walsh, Karl N. Blodgett, Carl McBurney, Samuel H Gellman, Timothy S. Zwier, "Inherent Conformational Preferences of Ac-Gln-Gln-NHBn: Sidechain Hydrogen Bonding Supports a β-Turn in the Gas Phase." Angewandte Chemie, 55 (47) (2016).

Daniel P. Tabor, Ryoji Kusaka, Patrick S. Walsh, Timothy S. Zwier, Edwin L. Sibert, "Local Mode Approach to OH Stretch Spectra of Benzene-(H2O)n Clusters, n=2-7." J. Phys. Chem. A., 119(38) (2015).

Deepali N. Mehta-Hurt, Joseph A. Korn, Polina Navotnaya, Alexander P. Parobek, Rachel M. Clayton, Timothy S. Zwier, "The Spectroscopy and Photochemistry of Quinioline Structural Isomers: (E)- and (Z)- phenylvinylnitrile." J. Chem. Phys., 143 (7) (2015).

Daniel P. Tabor, Ryoki Kusaka, Patrick S. Walsh, Edwin L. Sibert III, Timothy S. Zwier, “Isomer-Specific Spectroscopy of Benzene-(H2O)(n), n=6,7: Benzene's Role in Reshaping Water's Three-Dimensional Networks.” J. Phys. Chem. Lett., 6 (10), 1989-1995 (2015).

Patrick S. Walsh, Evan G. Buchanan, Joseph R. Gord, Timothy S. Zwier, “Binding water to a PEG-linked flexible bichromophore: IR spectra of diphenoxyethane-(H2O)(n) clusters, n=2-4.” J. Chem. Phys., 142 (15) (2015).

Patrick S.Walsh, Evan G. Buchanan, Joseph R. Gord, Timothy S. Zwier, “Solvent-mediated internal conversion in diphenoxyethane-(H2O)(n) clusters, n=2-4.” J. Chem. Phys., 142 (15) (2015).

Deepali N. Mehta-Hurt, Joseph A. Korn, Anna K. Gutberlet, Timothy S. Zwier, “Vibronic Spectroscopy of a Nitrile/Isonitrile Isoelectronic Pair: para-Diisocyanobenzene and para-Isocyanobenzonitrile.” J. Phys. Chem. A, 119 (12), 2863-2877 (2015).

Jacob C. Dean, Nicole L. Burke, John R. Hopkins, James G. Redwine, P. Veeraraghavan Ramachandran, Scott A. McLuckey, Timothy S. Zwier, “UV Photofragmentation and IR Spectroscopy of Cold, G-Type beta-O-4 and beta-beta Dilignol-Alkali Metal Complexes: Structure and Linkage-Dependent Photofragmentation.” J. Phys. Chem. A, 119 (10), 1917-1932 (2015).

Nicole L. Burke, James G. Redwine, Jacob C. Dean, Scott A. McLuckey, Timothy S. Zwier, “UV and IR spectroscopy of cold protonated leucine enkephalin.” Int. J. Mass Spectrom., 378, 196-205 (2015).

Timothy S. Zwier, “Looking beneath the Diffraction Limit and Inside of the Bulk.” J. Phys. Chem. Lett., 6 (3), 394-394 (2015).

Edwin L. Sibert III, Daniel P. Tabor, Nathanael M. Kidwell, Jacob C. Dean, Timothy S. Zwier, “Fermi Resonance Effects in the Vibrational Spectroscopy of Methyl and Methoxy Groups.” J. Phys. Chem. A, 118 (47), 11272-11281 (2014).

Jacob C. Dean, Ryoji Kusaka, Patrick S. Walsh, P. S.; Florent Allais, Timothy S. Zwier, “Plant Sunscreens in the UV-B: Ultraviolet Spectroscopy of Jet-Cooled Sinapoyl Malate, Sinapic Acid, and Sinapate Ester Derivatives.” J. Am. Chem. Soc., 136 (42), 14780-14795 (2014).

Evan G. Buchanan, Timothy S. Zwier, “Binding Water Clusters to an Aromatic-Rich Hydrophobic Pocket: 2.2.2 Paracyclophane-(H2O)(n), n=1-5.” J. Phys. Chem. A, 118 (37), 8583-8596 (2014).

Nathan R. Pillsbury, Nathanael M. Kidwell, Benjamin Nebgen, Lyudmila V. Slipchenko, Kevin O. Douglass, John R. Cable, David F. Plusquellic, Timothy S. Zwier, “Vibronic coupling in asymmetric bichromophores: Experimental investigation of diphenylmethane-d(5).” J. Chem. Phys., 141 (6) (2014).

Nathanael M. Kidwell, Vanesa Vaquero-Vara, Thomas K. Ormond, Grant T. Buckingham, Di Zhang, Deepali N. Mehta-Hurt, Laura McCaslin, Mark R. Nimlos, John W. Daily, Brian C. Dian, John F. Stanton, G. Barney Ellion, Timothy S. Zwier, “ Chirped-Pulse Fourier Transform Microwave Spectroscopy Coupled with a Flash Pyrolysis Microreactor: Structural Determination of the Reactive Intermediate Cyclopentadienone.” J. Phys. Chem. Lett., 5 (13), 2201-2207 (2014).

Jamie D.Young, Michael Staniforth, Jacob C. Dean, Gareth M. Roberts, Federico Mazzoni, Tolga N. V. Karsili, Michael N. R. Ashfold, Timothy S. Zwier, Vasilios G. Stavros, “Towards Understanding Photodegradation Pathways in Lignins: The Role of Intramolecular Hydrogen Bonding in Excited States.” J. Phys. Chem. Lett., 5 (12), 2138-2143  (2014).

Nathanael M. Kidwell, Deepali N. Mehta-Hurt, Joseph A. Korn, Edwin L. Sibert III, Timothy S. Zwier, “Ground and excited state infrared spectroscopy of jet-cooled radicals: Exploring the photophysics of trihydronaphthyl and inden-2-ylmethyl.” J. Chem. Phys., 140 (21) (2014).

Jacob C. Dean, Patrick S. Walsh, Bidyut Biswas, P. Veeraraghavan Ramachandran, Timothy S. Zwier, “Single-conformation UV and IR spectroscopy of model G-type lignin dilignols: the beta-O-4 and beta-beta linkages.” Chem. Sci., 5 (5), 1940-1955 (2014).Chem. Sci., 5 (5), 1940-1955 (2014).

Edwin L. Sibert III, Nathanael M. Kidwell, and Timothy S. Zwier, "A First-Principles Model of Fermi Resonance in the Alkyl CH Stretch Region: Application to Hydronaphthalenes, Indanes, and Cyclohexane", J. Phys. Chem. B, James L. Skinner Festschrift, (2014).

Joseph R. Gord, Patrick S. Walsh, Brian F. Fisher, Samuel H. Gellman, and Timothy S. Zwier, "Mimicking the First Turn of an α-Helix with an Unnatural Backbone: Conformation-Specific IR and UV Spectroscopy of Cyclically Constrained β/γ-Peptides", J. Phys. Chem. B. James L. Skinner Festschrift, (2014).

Vanesa Vaquero-Vara, Di Zhang, Brian C. Dian, David W. Pratt, and Timothy S. Zwier, "Delicate Balance of Hydrogen Bonding Forces in D-Threoninol", J. Phys. Chem. A, Kenneth D. Jordan Festschrift, (2014).

Patrick S. Walsh, Ryoji Kusaka, Evan G. Buchanan, William H James III, Brian F. Fisher, Samuel H. Gellman, and Timothy S. Zwier, "Cyclic Constraints on Conformational Flexibility in γ-Peptides: Conformation Specific IR and UV Spectroscopy", J. Phys. Chem. A. 117, 12350-12362 (2013).

Ryoji Kusaka, Di Zhang, Patrick S. Walsh, Joseph R. Gord, Brian F. Fisher, Samuel H. Gellman, and Timothy S. Zwier, "Role of Ring-Constrained γ-Amino Acid Residues in α/γ-Peptide Folding: Single-Conformation IR and UV Spectroscopy", J. Phys. Chem. A, 117(42), 10847-10862, (2013).

James G. Redwine, Zachary S. Davis, Nicole L. Burke, Robert A. Oglesbee, Scott A. McLuckey, and Timothy S. Zwier, "A novel ion trap based tandem mass spectrometer for the spectroscopic study of cold gas phase polyatomic ions", International Journal of Mass Spectrometry, 348, 9-14, (2013).

Evan G. Buchanan, Joseph R. Gord, and Timothy S. Zwier, "Solvent Effects on Vibronic Coupling in a Flexible Bichromophore: Electronic Localization and Energy Transfer induced by a Single Water Molecule", J. Phys. Chem. Lett., 4(10), 1644-1648, (2013).

Evan G. Buchanan, Edwin L. Sibert III, and Timothy S. Zwier, "Ground State Conformational Preferences and CH Stretch-Bend Coupling in a Model Alkoxy Chain: 1,2-Diphenoxyethane", J. Phys. Chem. A, 117(13), 2800-2811, (2013).

Nathanael M. Kidwell, Neil J. Reily, Ben Nebgen, Deepali N. Mehta-Hurt, Ross D. Hoen, Damian L. Kokkin, Michael C. McCarthy, Ludymila V. Slipchenko, and Timothy S. Zwier, "Jet-Cooled Spectroscopy of the α-Methylbenzyl Radical: Probing the State-Dependent Effects of Methyl Rocking Against a Radical Site", J. Phys. Chem. A, 117(50), 13465-13480 (2013)

Jacob C. Dean, Polina Navotnaya, Alexander P. Parobek, Rachel M. Clayton, and Timothy S. Zwier, "Ultraviolet spectroscopy of fundamental lignin subunits: Guaiacol, 4-methylguaiacol, syringol, and 4-methylsyringol", J. Chem. Phys., 139(14), 144313 (2013).

Evan G. Buchanan, Patrick S. Walsh, David F. Plusquellic, and Timothy S. Zwier, "Excitonic splitting and vibronic coupling in 1,2-diphenoxyethane:Conformation-specific effects in the weak coupling limit", J. Chem. Phys., 138(20), 204313, (2013).

Evan G. Buchanan, Jacob C. Dean, Timothy S. Zwier, and Edwin L. Sibert III, "Towards a first-principles model of Fermi resonance in the alkyl CH stretch Region: Application to 1,2-diphenylethane (DPE) and 2,2,2-paracyclophane (TCP)", J. Chem. Phys., 138(6), 064308, (2013).

Timothy S. Zwier, "Interrogating Interfaces and Core Electrons via Nonlinear Laser Methods", J. Phys. Chem. Lett., 4(2), 303, (2013).

Timothy S. Zwier, "Optical Interrogation of Complex Interfaces", J. Phys. Chem. Lett., 3(20), 3070, (2012).

Jacob C. Dean, Evan G. Buchanan, and Timothy S. Zwier, "Mixed 14/16 Helices in the Gas Phase: Conformation-Specific Spectroscopy of Z-(Gly)(n), n = 1, 3, 5", J. Am. Chem. Soc., 134(41), 17186-17201, (2012).

Evan G. Buchanan, William H. James III, Soo Hyuk choi, Li Guo, Samuel H. Gellman, Christian W. Müller, and Timothy S. Zwier, "Single-conformation infrared spectra of model peptides in the amide I and amide II regions: Experiment-based determination of local mode frequencies and inter-mode coupling", J. Chem. Phys. 137(9), 094301, (2012).

Timothy S. Zwier, "Photoinduced Dynamics in Membranes and at Interfaces", J. Phys. Chem. Lett., 3(12), 1721, (2012).

Timothy S. Zwier, "Probing Frozen Molecular Embraces", Science 335, 668-9 (2012). (Invited perspective).

Joshua A. Sebree, Nathanael M. Kidwell, Talitha M. Selby, Brent K. Amberger, Robert J. McMahon, and Timothy S. Zwier, "Photochemistry of Benzylallene: Ring-closing Reactions to form Naphthalene", J. Am. Chem. Soc. 134, 1153-63 (2012).

Joshua A. Sebree and Timothy S. Zwier, "The Excited States and Vibronic Spectroscopy of Diphenyldiacetylene and Diphenylvinylacetylene", Phys. Chem. Chem. Phys. 14, 173-183 (2012).

William H. James III, Evan G. Buchanan, Li Guo, Samuel H. Gellman, and Timothy S. Zwier, "Evolution of amide stacking in larger γ-peptides: Triamide H-bonded cycles", J. Phys. Chem. A 115, 13783-98 (2011).

Joshua A. Sebree, David F. Plusquellic, and Timothy S. Zwier, "Spectroscopic Characterization of Structural Isomers of Naphthalene: 1-phenyl-1-butyn-3-ene", J. Mol. Spec. 270, 98-107 (2011).

William H. James III, Evan G. Buchanan, Christian W. Müller, Michael G.D. Nix, Li Guo, Samuel H. Gellman, and Timothy S. Zwier, "Competition between Amide stacking in γ-peptide derivatives: Controlling nearest-neighbor preferences", J. Phys. Chem. A 115, 11960-70 (2011).

Chirantha P. Rodrigo, Christian W. Müller, Timothy S. Zwier, and David F. Plusquellic, "Rotationally resolved C2 Symmetric Conformers of Bis-(4-hydroxyphenyl)methane: Prototypical Examples of Excitonic Coupling in the S1 and S2 Electronic States", J. Phys. Chem. A 115, 9643-52 (2011).

Jacob C. Dean, Deepali Mehta, William H. James III, and Timothy S. Zwier, "Conformation specific spectroscopy and populations of diastereomers of a model monolignol derivative: Chiral effects in a triol chain", J. Phys. Chem. A 115, 8464-8478 (2011).

Joshua A. Sebree, Nathan Kidwell, Evan G. Buchanan, Marek Zgierski, and Timothy S. Zwier, "Spectroscopy and Ionization Thresholds of p-Isoelectronic 1-Phenylallyl and Benzylallenyl Resonance Stabilized Radicals", Chemical Science, 2, 1746-1754 (2011).

Chirantha P. Rodrigo, Christian W. Müller, David F. Plusquellic, and Timothy S. Zwier, "Conformation-specific vibronic spectroscopy and internal mixing in a flexible bichromophore: bis-(4-hydroxyphenyl)methane", J. Chem. Phys. 134, 164312 (2011).

Chirantha P. Rodrigo and Timothy S. Zwier, "Single-conformation ultraviolet and infrared spectra of jet-cooled monolignols: p-coumaryl alcohol, coniferyl alcohol, and sinapyl alcohol", J. Am. Chem. Soc. 133, 2632-2641 (2011).

Evan G. Buchanan, William H. James III, Anna Gutberlet, Jacob C. Dean, Li Guo, Samuel H. Gellman, and Timothy S. Zwier, "Single-Conformation Spectroscopy and Population Analysis of Model γ-peptides: New tests of amide stacking", Faraday Discussion 150, 209-226 (2011).

Joshua A. Sebree, Vadim V. Kislov, Alexander M. Mebel, and Timothy S. Zwier, "Isomer specific spectroscopy of C10Hn, n=8-12: Exploring Pathways to Naphthalene in Titan's Atmosphere", (as part of Faraday Discussion 147 entitled "Chemistry of the Planets"), Faraday Discussion 147, 231-249 (2010).

Joshua A. Sebree, Vadim V. Kislov, Alexander M. Mebel, and Timothy S. Zwier, "Spectroscopic and Thermochemical Consequences of site-specific H-atom addition to Naphthalene", J. Phys. Chem. A 114, 6255-62 (2010).

Josh J. Newby, Ching-Ping Liu, Christian W. Müller, William H. James III, Evan G. Buchanan, H. D. Lee, and Timothy S. Zwier, "Spectroscopy and Photophysics of Structural Isomers of Naphthalene: Z-phenylvinylacetylene", J. Chem. Phys. A, 114, 3190-98 (2010).

Christian W. Müller, Josh J. Newby, Ching-Ping Liu, Chirantha P. Rodrigo, and Timothy S. Zwier, "Duschinsky mixing between four non-totally symmetric normal coordinates in the S1-S0 vibronic structure of phenylvinylacetylene: A quantitative analysis", PCCP 12, 2331-43 (2010).

Josh J. Newby, Christian W. Müller, Ching-Ping Liu and Timothy S. Zwier, "Probing E/Z Isomerization on the C10H8 Potential Energy Surface with Ultraviolet Population Transfer Spectroscopy", J. Am. Chem. Soc., 132 (5), 1611 (2010).

William H. James, III, Esteban E. Baquero, Soo Hyuk Choi, Samuel H. Gellman, Timothy S. Zwier, "Laser Spectroscopy of Conformationally Constrained α/β-Peptides: Ac-ACPC-Phe-NHMe and Ac-Phe-ACPC-NHMe", J. Phys. Chem. A, 114 (3), 1585 (2010)


Flexible biomolecules and hydrogen bonding

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Daniel P. Tabor, Ryoki Kusaka, Patrick S. Walsh, Edwin L. Sibert III, Timothy S. Zwier, “Isomer-Specific Spectroscopy of Benzene-(H2O)(n), n=6,7: Benzene's Role in Reshaping Water's Three-Dimensional Networks.” J. Phys. Chem. Lett., 6 (10), 1989-1995 (2015).

Patrick S. Walsh, Evan G. Buchanan, Joseph R. Gord, Timothy S. Zwier, “Binding water to a PEG-linked flexible bichromophore: IR spectra of diphenoxyethane-(H2O)(n) clusters, n=2-4.” J. Chem. Phys., 142 (15) (2015).

Patrick S.Walsh, Evan G. Buchanan, Joseph R. Gord, Timothy S. Zwier, “Solvent-mediated internal conversion in diphenoxyethane-(H2O)(n) clusters, n=2-4.” J. Chem. Phys., 142 (15) (2015).

Nicole L. Burke, James G. Redwine, Jacob C. Dean, Scott A. McLuckey, Timothy S. Zwier, “UV and IR spectroscopy of cold protonated leucine enkephalin.” Int. J. Mass Spectrom., 378, 196-205 (2015).

Joseph R. Gord, Patrick S. Walsh, Brian F. Fisher, Samuel H. Gellman, and Timothy S. Zwier, "Mimicking the First Turn of an α-Helix with an Unnatural Backbone: Conformation-Specific IR and UV Spectroscopy of Cyclically Constrained β/γ-Peptides", J. Phys. Chem. B, James L. Skinner Festschrift (2014)

Vanesa Vaquero-Vara, Di Zhang, Brian C. Dian, David W. Pratt, and Timothy S. Zwier, "Delicate Balance of Hydrogen Bonding Forces in D-Threoninol", J. Phys. Chem. A, Kenneth D. Jordan Festschrift, (2014).

Evan G. Buchanan, Timothy S. Zwier, “Binding Water Clusters to an Aromatic-Rich Hydrophobic Pocket: 2.2.2 Paracyclophane-(H2O)(n), n=1-5.” J. Phys. Chem. A, 118 (37), 8583-8596 (2014).

Patrick S. Walsh, Ryoji Kusaka, Evan G. Buchanan, William H James III, Brian F. Fisher, Samuel H. Gellman, and Timothy S. Zwier, "Cyclic Constraints on Conformational Flexibility in γ-Peptides: Conformation Specific IR and UV Spectroscopy", J. Phys. Chem. A, 117, 12350-12362 (2013).

Ryoji Kusaka, Di Zhang, Patrick S. Walsh, Joseph R. Gord, Brian F. Fisher, Samuel H. Gellman, and Timothy S. Zwier, "Role of Ring-Constrained γ-Amino Acid Residues in α/γ-Peptide Folding: Single-Conformation IR and UV Spectroscopy", J. Phys. Chem. A, 117(42), 10847-10862, (2013).

James G. Redwine, Zachary S. Davis, Nicole L. Burke, Robert A. Oglesbee, Scott A. McLuckey, and Timothy S. Zwier, "A novel ion trap based tandem mass spectrometer for the spectroscopic study of cold gas phase polyatomic ions", International Journal of Mass Spectrometry, 348, 9-14, (2013).

Evan G. Buchanan, Joseph R. Gord, and Timothy S. Zwier, "Solvent Effects on Vibronic Coupling in a Flexible Bichromophore: Electronic Localization and Energy Transfer induced by a Single Water Molecule", J. Phys. Chem. Lett., 4(10), 1644-1648, (2013).

Evan G. Buchanan, Edwin L. Sibert III, and Timothy S. Zwier, "Ground State Conformational Preferences and CH Stretch-Bend Coupling in a Model Alkoxy Chain: 1,2-Diphenoxyethane", J. Phys. Chem. A, 117(13), 2800-2811, (2013).

Timothy S. Zwier, "Probing Frozen Molecular Embraces", Science 335, 668-9 (2012). (Invited perspective).

Evan G. Buchanan, William H. James III, Soo Hyuk choi, Li Guo, Samuel H. Gellman, Christian W. Müller, and Timothy S. Zwier, "Single-conformation infrared spectra of model peptides in the amide I and amide II regions: Experiment-based determination of local mode frequencies and inter-mode coupling", J. Chem. Phys. 137(9), 094301, (2012).

Jacob C. Dean, Evan G. Buchanan, and Timothy S. Zwier, "Mixed 14/16 Helices in the Gas Phase: Conformation-Specific Spectroscopy of Z-(Gly)(n), n = 1, 3, 5", J. Am. Chem. Soc., 134(41), 17186-17201, (2012).

Evan G. Buchanan, William H. James III, Anna Gutberlet, Jacob C. Dean, Li Guo, Samuel H. Gellman, and Timothy S. Zwier, "Single-Conformation Spectroscopy and Population Analysis of Model γ-peptides: New tests of amide stacking", Faraday Discussion 150, 209-226 (2011).

William H. James III, Evan G. Buchanan, Christian W. Müller, Michael G.D. Nix, Li Guo, Samuel H. Gellman, and Timothy S. Zwier, "Competition between Amide stacking in γ-peptide derivatives: Controlling nearest-neighbor preferences", J. Phys. Chem. A 115, 11960-70 (2011).

William H. James III, Evan G. Buchanan, Li Guo, Samuel H. Gellman, and Timothy S. Zwier, "Evolution of amide stacking in larger γ-peptides: Triamide H-bonded cycles", J. Phys. Chem. A 115, 13783-98 (2011).

William H. James, III, Esteban E. Baquero, Soo Hyuk Choi, Samuel H. Gellman, Timothy S. Zwier, "Laser Spectroscopy of Conformationally Constrained α/β-Peptides: Ac-ACPC-Phe-NHMe and Ac-Phe-ACPC-NHMe", J. Phys. Chem. A, 114 (3), 1585 (2010)

V. Alvin Shubert, Christian W. Müller and Timothy S. Zwier, "Water's Role in Reshaping a Macrocycle's Binding Pocket: Infrared and Ultraviolet Spectroscopy of Benzo-15-crown-5-(H2O)n and 4'-aminobenzo-15-crown-5-(H2O)n, n = 1, 2", J. Phys. Chem. A, 113(28), 8067 (2009).

V. Alvin Shubert, William H. James, III and Timothy S. Zwier, "Jet-Cooled Electronic and Vibrational Spectroscopy of Crown Ethers: Benzo-15-Crown-5 Ether and 4'-Amino-Benzo-15-Crown-5 Ether", J. Phys. Chem. A, 113(28), 8055 (2009).

Timothy S. Zwier, "Squeezing the Water Out of HCl(aq)", Science, 324(5934), 1522 (2009).

William H. James, III, Christian W. Müller, Evan G. Buchanan, Michael G. D. Nix, Li Guo, Luke roskip, Mark S. Gordon, Lyudmila V. Slipchenko, Samuel H. Gellman and Timothy S. Zwier, "Intramolecular Amide Stacking and Its Competition with Hydrogen Bonding in a Small Foldamer" J. Am. Chem. Soc., 131 (40), 14243 (2009).

William H. James, III, Esteban E. Baquero, V. Alvin Shubert, Soo Hyuk Choi, Samuel H. Gellman and Timothy S. Zwier, "Single-Conformation and Diastereomer Specific Ultraviolet and Infrared Spectroscopy of Model Synthetic Foldamers: a/β-Peptides", J. Am. Chem. Soc., 131(18), 6574 (2009).

Marcel Böhm, Jörg Tatchen, Daniel Krügler, Karl Kleinermanns, Michael G. D. Nix, Tracy A. LeGreve, Timothy S. Zwier, and Michael Schmitt , "High-Resolution and Dispersed Fluorescence Examination of Vibronic Bands of Tryptamine: Spectroscopic Signatures for La/Lb Mixing near a Conical Intersection", J. Phys. Chem. A, 113(11), 2456 (2009).

Tracy A. LeGreve, William H. James III and Timothy S. Zwier, "Solvent Effects on the Conformational Preferences of Serotonin: Serotonin-(H2O)n, n = 1,2", J. Phys. Chem. A, 113(2), 399 (2009).

Esteban E. Baquero, William H. James III, Tae Hoon Choi, Kenneth D. Jordan, and Timothy S. Zwier "Single Conformation Spectroscopy of a Flexible Bichromophore: 3-(4-Hydroxyphenyl)-N-benzylpropionamide", J. Phys. Chem. A, 112(44), 11115 (2008).

LeGreve, T. A.; Clarkson, J. R.; Zwier, T. S." Experimental Determination of Conformational Isomerization Energy Thresholds in Serotonin", J. Phys. Chem. A, 112(17), 3911 (2008).

Esteban E. Baquero, William H. James, III, Soo Hyuk Choi, Samuel H. Gellman, and Timothy S. Zwier, "Single-Conformation Ultraviolet and Infrared Spectroscopy of Model Synthetic Foldamers: β-Peptides Ac-β3-hPhe-NHMe and Ac-β3-hTyr-NHMe", J. Am. Chem. Soc, 130(14), 4784 (2008).

Esteban E. Baquero, William H. James, III, Soo Hyuk Choi, Samuel H. Gellman, and Timothy S. Zwier, "Single-Conformation Ultraviolet and Infrared Spectroscopy of Model Synthetic Foldamers: β-Peptides Ac-β3-hPhe-β3-hAla-NHMe and Ac-β3-hAla-β3-hPhe-NHMe", J. Am. Chem. Soc, 130(14), 4795 (2008).

V. Alvin Shubert, Esteban E. Baquero, Jasper R. Clarkson, William H. James III, Jeffrey A. Turk, Alissa A. Hare, Kevin Worrel, Mark A. Lipton, Daniel P. Schofield, Kenneth D. Jordan, and Timothy S. Zwier, "Entropy-driven population distributions in a prototypical molecule with two flexible side chains: O-(2-acetamidoethyl)-N-acetyltyramine", J. Chem. Phys. 127, 234315 (2007).

V. Alvin Shubert and Timothy S. Zwier, "IR-IR-UV Hole-Burning: Conformation Specific IR Spectra in the Face of UV Spectral Overlap", J. Phys. Chem. A, (2007).

Jasper R. Clarkson, John M. Herbert, and Timothy S. Zwier, "Infrared photodissociation of a water molecule from a flexible molecule-H2O complex: Rates and conformational product yields following XH stretch excitation", J. Chem. Phys. 126, 134306 (2007).

Tracy A. LeGreve, Esteban E. Baquero, and Timothy S. Zwier, "Infrared and Ultraviolet Spectral Signatures and Conformational Preferences of Jet-Cooled Serotonin", J. Am. Chem. Soc. 129(13), 4028 (2007).

Timothy S. Zwier, "Laser probes of Conformational Isomerization in Flexible Molecules and Complexes", J. Phys. Chem. A 110(12) 4133-4150 (2006). Feature article.

Jasper R. Clarkson, Brian C. Dian, Loick Moriggi, A. DeFusco, V. McCarthy, Kenneth D. Jordan, and Timothy S. Zwier, "Direct measurement of the energy thresholds to conformational isomerization in Tryptamine: Experiment and theory," J. Chem. Phys. 122 (21) 214311 (2005).

Jasper R. Clarkson, Esteban Baquero, Timothy S. Zwier, "Direct measurement of the energy thresholds to conformational isomerization. II. 3-indole-propionic acid and its water-containing complex," J. Chem. Phys. 122 (21) 214312 (2005).

Jasper R. Clarkson, Esteban Baquero, V. Alvin Shubert, Evgeniy M. Myshakin, Kenneth D. Jordan, Timothy S. Zwier, "Laser-initiated shuttling of a water molecule between H-bonding sites," Science 307 (5714), 1443-1446 (2005). Abstract

Timothy S. Zwier, "The structure of protonated water clusters," Science (published online)

Cathrine A. Southern, Donald H. Levy, Gina M. Florio, Asier Longarte, Jaime A. Stearns, and Timothy S. Zwier, "The spectroscopic consequences of localized electronic excitation in anthranilic acid dimer," J. Phys. Chem. A 108, 4599 (2004).

Brian C. Dian, Asier Longarte, Paul R. Winter, and Timothy S. Zwier, "The dynamics of conformational isomerization in flexible biomolecules: I. Hole-filling spectroscopy of N-acetyl tryptophan methyl amide and N-acetyl tryptophan amide," J. Chem. Phys. 120, 133 (2004)

David A. Evans, David J. Wales, Brian C. Dian, and Timothy S. Zwier, "They dynamics of conformational isomerization in flexible biomolecules: Simulating isomerizations in a molecular beam with master equation dynamics," J. Chem. Phys. 120, 148 (2004)

Brian C. Dian, Jasper R. Clarkson, and Timothy S. Zwier, "Direct experimental measurement of the energy barriers to conformational isomerization in tryptamine," Science 303, 1169 (2004).

Brian C. Dian, Gina M. Florio, Jasper R. Clarkson, Asier Longarte, and Timothy S. Zwier, "Infrared-induced conformational isomerization and vibrational relaxation dynamics in melatonin and 5-methoxy-N-acetyl tryptophan methyl amide," J. Chem. Phys. 120,9033 (2004)

Brian C. Dian, Asier Longarte, and Timothy S. Zwier,"Hydride Stretch Infrared Spectra in the Electronic Excited States of indole and its derivatives: Direct evidence for the 1πσ* state", J. Chem. Phys. 118, 2696 (2003)

Gina M. Florio and Timothy S. Zwier, "Solvation of a flexible biomolecule in the gas phase: Infrared and ultraviolet spectroscopy of melatonin-water clusters", J. Phys. Chem. A 107, 974 (2003).

Gina M. Florio, Timothy S. Zwier, Evgeniy M. Myshakin, Kenneth D. Jordan, and Edwin L. Sibert III, "Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles calculation of anharmonic couplings", J. Chem. Phys. 118, 1735 (2003)

Cathrine A. Southern, Donald H. Levy, Gina M. Florio, Asier Longarte, and Timothy S. Zwier, "Electronic and Infrared Spectroscopy of Anthranilic Acid in a Supersonic Jet", J. Phys. Chem. A. 107(20); 4032-4040 (2003).

Brian C. Dian, Asier Longarte, Sebastien Mercier, and Timothy S. Zwier, "The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide", J. Chem. Phys. 117,10688 (2002).

Brian C. Dian, Asier Longarte, and Timothy S. Zwier, "Conformational Dynamics in a Dipeptide After Single-Mode Vibrational Excitation", Science 296 (5577): 2369-2373 (2002).

David R. Borst, Joseph R. Riscoli, David W. Pratt, Gina M. Florio, Timothy S. Zwier, Andreas Mueller, and Samuel Leutwyler, "Hydrogen bonding and tunneling in the 2-pyridone•2-hydroxypyridine mixed dimer. Effect of electronic excitation", Chemical Physics 283,341 (2002).

Gina M. Florio, Richard Christie, Kenneth D. Jordan, and Timothy S. Zwier, "Conformational preferences of jet-cooled melatonin: Probing trans- and cis-amide regions of the potential energy surface", J. Am. Chem. Soc. 124, 10236-10247 (2002).

Timothy S. Zwier, "Laser Spectroscopy of Jet-Cooled Biomolecules and their Water-Containing Clusters: Water Bridges and Molecular Conformation",J. Phys. Chem. A 105, 8827-8839 (2001).

Joel R. Carney, Brian C. Dian, Gina M. Florio, and Timothy S. Zwier, "The role of water bridges in directing the conformational preferences of 3-indole-propionic acid and tryptamine", J. Am. Chem. Soc. 123, 5596-5597 (2001).

Joel R. Carney and Timothy S. Zwier, "Conformational flexibility in small biomolecules: Tryptamine and 3-indole-propionic acid", Chem. Phys. Lett. 341, 77-85 (2001).

Andrei Fedorov, John R. Cable, Joel R. Carney, and Timothy S. Zwier, "The infrared spectroscopy of H-bonded bridges spanning the cis-amide group: II. Ammonia and mixed ammonia/water bridges", J. Phys. Chem. A 105 (35), 8162 -8175 (2001).

Gina M. Florio, Edwin L. Sibert III, and Timothy S. Zwier, "Fluorescence-dip infrared spectra of jet-cooled benzoic acid dimer in its ground and first excited singlet states", Faraday Discussion 118 (Cluster Dynamics), pp. 315-330 (2001).

Joel R. Carney, Andrei Fedorov, John R. Cable, and Timothy S. Zwier, "The Infrared Spectroscopy of H-bonded bridges stretched across the cis-amide group: I. Water bridges", J. Phys. Chem. A, 105, 3487-3497 (2001).

Gina M. Florio, Christopher J. Gruenloh, Robert C. Quimpo, and Timothy S. Zwier, "The Infrared Spectroscopy of Hydrogen-Bonded Bridges: I. 2-pyridone-(water)n and 2-hydroxypyridine-(water)n, n=1,2", J. Chem. Phys. 113, 11143-11153 (2000).

Joel R. Carney and Timothy S. Zwier, "The Infrared and Ultraviolet Spectra of Individual Conformers of Biomolecules: Tryptamine",J. Phys. Chem. A 104, 8677-8688 (2000).

Christopher J. Gruenloh, Joel R. Carney, Fredrick C. Hagemeister, Timothy S. Zwier, John T. Wood III, and Kenneth D. Jordan, "Resonant ion-dip infrared spectroscopy of benzene-(water)9: Expanding the cube", J. Chem. Phys.113, 2290-2303 (2000).

C.J. Gruenloh, F.C. Hagemeister, and T.S. Zwier, "Size and Conformation-selective infrared spectroscopy of neutral hydrogen-bonded clusters", Recent Theoretical and Experimental Advances in Hydrogen-Bonded Clusters, NATO Advanced Study Institute, edited by S.S. Xantheas (Kluwer, The Netherlands), 83-99 (2000).

Joel R. Carney and Timothy S. Zwier, "The Infrared and Ultraviolet Spectroscopy of water-containing clusters of indole, 1-methylindole, and 3-methylindole", J. Phys. Chem. A 103, 9943-9957 (1999).

Christopher J. Gruenloh, Fredrick C. Hagemeister, Joel R. Carney, and Timothy S. Zwier, "Resonant ion-dip infrared spectroscopy of ternary benzene-(water)n (methanol)m hydrogen-bonded clusters", J. Phys. Chem. A 103, 503-513 (1999).

Christopher J. Gruenloh, Gina M. Florio, Joel R. Carney, Fredrick C. Hagemeister, and Timothy S. Zwier, "C-H Stretch Modes as a Probe of H-bonding in Methanol-containing Clusters", J. Phys. Chem. A 103, 496-502 (1999).

F.C. Hagemeister, C.J. Gruenloh, and Timothy S. Zwier, "Resonant ion-dip infrared spectroscopy of benzene-(water)n(methanol)m clusters with n+m=4,5", Chem. Phys. 239, 83-96 (1998).

C.J. Gruenloh, J.R. Carney, F.C. Hagemeister, C.A. Arrington, T.S. Zwier, S.Y. Fredericks, J.T. Wood III, and K.D. Jordan, "Resonant ion-dip infrared spectroscopy of the S4 and D2d water octamers in benzene-(water)8 and benzene2-(water)8", J. Chem. Phys. 109, 6601-6614 (1998).

F.C. Hagemeister, C.A. Arrington, B.J. Giles, B. Quimpo, L. Zhang, and T.S. Zwier, "Cavity ringdown methods for studying intramolecular and intermolecular dynamics", chapter in "Cavity ring-down spectroscopy - An Ultratrace-Absorption Measurement Technique", ed. K.S. Busch and M.A. Busch, ACS Symposium Series 720, Chap. 14, pp. 210-232.

J.R. Carney, F.C. Hagemeister, and T.S. Zwier, "The hydrogen-bonding topologies of indole-(water)n clusters from resonant ion-dip infrared spectroscopy", J. Chem. Phys. 108, 3379-3382 (1998).

F. Hagemeister and T.S. Zwier, "Density functional theory calculations of the structures, binding energies, and infrared spectra of methanol clusters", J. Phys. Chem. A 102, 82-94 (1998).

C.J. Gruenloh, J.R. Carney, C.A. Arrington, T.S. Zwier, S.Y. Fredericks, and K.D. Jordan, "Infrared Spectrum of a Molecular Ice Cube: The S4 and D2d Water Octamers in Benzene-(water)8", Science 276, 1678-1681 (1997).

S.Y. Fredericks, J.M. Pedulla, K.D. Jordan, and T.S. Zwier, "OH stretch IR spectra of (H2O)3 and benzene-(H2O)3", Theor. Chem. Acc. 96, 51-55 (1997).

T.S. Zwier, "The Infrared Spectroscopy of Hydrogen-bonded clusters: Chains, cycles, cubes, and three-dimensional networks", to appear in Advances in Molecular Vibrations and Collision Dynamics, J.M. Bowman ed., (JAI, Greenwich, 1998), pp. 249-280.

R.N. Pribble, C. Gruenloh, and T.S. Zwier, "The ultraviolet and infrared spectroscopy of (benzene)2-(CH3OH)3 isomeric clusters" Chem. Phys. Lett. 262, 627-632 (1996).

R.N. Pribble, C. Gruenloh, and T.S. Zwier, "Resonant ion-dip infrared spectroscopy of benzene-(methanol)n clusters with n=1-6", J. Chem. Phys. 106, 2145-2157 (1997).

T.S. Zwier, "The Spectroscopy of Solvation in Hydrogen-bonded Aromatic Clusters", Ann. Rev. Phys. Chem. 47, 205-241 (1996).

R.K. Frost, F. Hagemeister, C. Arrington, D. Schleppenbach, G. Laurence, and T.S. Zwier, "Fluorescence-dip infrared spectroscopy of 5-hydroxytropolone", J. Phys. Chem. 100, 16835-16842 (1996).

R.K. Frost, F. Hagemeister, C.A. Arrington, D. Schleppenbach, T.S. Zwier, and K.D. Jordan, "Fluorescence-dip infrared spectroscopy of the tropolone-H2O complex", J. Chem. Phys. 105, 2605-17 (1996).

R.K. Frost, F. Hagemeister, C.A. Arrington, T.S. Zwier, and K.D. Jordan, "Fluorescence-dip infrared spectroscopy of Tropolone and Tropolone-OD", J. Chem. Phys. 105, 2595-2604 (1996).

S. Fredericks, K.D. Jordan, and T.S. Zwier, "Theoretical Characterization of the Structures and Vibrational Spectra of Benzene-(H2O)n, n=1-3, Clusters", J. Phys. Chem. 100, 7810- 7821 (1996).

R.N. Pribble, A.W. Garrett, K. Haber, and T.S. Zwier, "Resonant Ion-dip Infrared Spectroscopy of Benzene-H2O and Benzene-HOD", J. Chem. Phys. 103, 531-544 (1995).

J.J. Nash, T.S. Zwier, and K.D. Jordan, "Mode-selective Photoisomerization in 5-hydroxytropolone: II. Theory", J. Chem. Phys. 102, 5260-5270 (1995).

F.A. Ensminger, J. Plassard, T.S. Zwier, and S. Hardinger, "Mode-selective Photo- isomerization in 5-hydroxytropolone: I. Experiment", J. Chem. Phys. 102, 5246-5259 (1995).

A.W. Garrett and T.S. Zwier, "Resonant Two-Photon Ionization Studies of Benzene- (solvent)n Clusters", a review chapter in Advances in Multiphoton Processes and Spectroscopy, ed. S.H. Lin, A.A. Villaeys, and Y. Fujimara (World Scientific), Vol. 8, Part 2, pp. 129-188 (1994) .

K. Kim, K.D. Jordan, and T.S. Zwier, "Low-energy Structures and Vibrational Frequencies of the Water Hexamer: Comparison with Benzene(H2O)6", J. Am. Chem. Soc. 116, 11568-9 (1994).

R.N. Pribble and T.S. Zwier, "Probing Hydrogen Bonding in Benzene-(water)n Clusters using Resonant Ion-Dip Infrared Spectroscopy", Faraday Discuss. 97, 229 (1994).

R.N. Pribble and T.S. Zwier, "Size-Specific Infrared Spectra of Benzene-(H2O)n with n=1-7: Evidence for the Transition from Cyclic to Non-cyclic (H2O)n structures", Science 265, 75-79 (1994).

A.J. Gotch, R.N. Pribble, F.A. Ensminger, and T.S. Zwier, "The Spectroscopy and Photophysics of p Hydrogen-bonded Complexes: C6H6-CHCl3", Laser Chemistry 13, 187-205 (1994).

F.A. Ensminger, Jason Plassard, and T.S. Zwier, "Vibronically State-Selective Photoisomerization in 5-hydroxytropolone", J. Chem. Phys. 99, 8341 (1993).

F.A. Ensminger, J. Plassard and T.S. Zwier, "Electronic substituent and Amino Torsional Coupling Effects on Intramolecular Proton Tunneling in 5-aminotropolone", J. Phys. Chem. 97, 4344-4353 (1993).

J.D. Augspurger, C.E. Dykstra, and T.S. Zwier, "A Model Study of the Structures and Stabilities of C6H6-(H2O)2-12 Clusters", J. Phys. Chem. 97, 980-984 (1993).

A.W. Garrett and T.S. Zwier, "The Spectroscopy of Mixed-Solvent Clusters: C6H6-(H2O)n-(CH3OH)m" , J. Phys. Chem. 96,9710-9718 (1992).

J.D. Augspurger, C.E. Dykstra, and T.S. Zwier, "Hydrogen Bond Swapping in the Benzene-Water Complex. A Model Study of the Interaction Potential", J. Phys. Chem. 96, 7252 - 7257 (1992).

A.W. Garrett and T.S. Zwier, "Multiphoton Ionization Studies of C6H6-(CH3OH)n Clusters: II. Intracluster Ion-Molecule Reactions", J. Chem. Phys. 96, 7259 - 7267 (1992).

A.W. Garrett, D.L. Severance, and T.S. Zwier, "Multiphoton Ionization Studies of C6H6-(CH3OH)n Clusters: I. Comparisons with C6H6-(H2O)n Clusters", J. Chem. Phys. 96, 7245-7258 (1992).

A.W. Garrett and T.S. Zwier, "Multiphoton Ionization Studies of Clusters of Immiscible Liquids: 2. C6H6-(H2O)n, n=3-8 and (C6H6)2-(H2O)1,2", J. Chem. Phys. 96, 3402-3410 (1992).

A.J. Gotch and T.S. Zwier, "Multiphoton Ionization Studies of Clusters of Immiscible Liquids: 1. C6H6-(H2O)n, n=1,2", J. Chem. Phys. 96, 3388-3401(1992).

R.E. Bandy, A.W. Garrett, H.D. Lee, and T.S. Zwier, "The Spectroscopic and Photophysical Effects of the Position of Methyl Substitution: 2. 2-methylpyrimidine", J. Chem. Phys. 96, 1667-1676 (1992).

A.J. Gotch, A.W. Garrett, and T.S. Zwier, "The Ham Bands Revisited: The Spectroscopy and Photophysics of the C6H6-CCl4 complex", J. Phys. Chem. 95, 9699-9707 (1991).

R.E. Bandy, J. Nash, and T.S. Zwier, "The Spectroscopic and Photophysical Effects of the Position of Methyl Substitution: 1. 4- and 5-methylpyrimidine", J. Chem.Phys. 95, 2317-2335 (1991).

A.J. Gotch, A.W. Garrett, D.L. Severance, and T.S. Zwier, "The Structure and Photophysics of Clusters of Immiscible Liquids: C6H6-(H2O)n", Chem. Phys. Lett. 178, 121-129 (1991).

A.J. Gotch and T.S. Zwier, "Half-Collision Studies of π-Hydrogen Bonding interactions in Benzene-HCl and Toluene-HCl Complexes", J. Chem. Phys. 93, 6977-6986, 1990.

J.R. Gord, A.W. Garrett, R.E. Bandy, and T.S. Zwier, "REMPI Fragmentation as a Probe of Hydrogen Bonding in Aromatic-X Clusters", Chem. Phys. Lett. 171, 443-450 (1990).


Lignin

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Jacob C. Dean, Nicole L. Burke, John R. Hopkins, James G. Redwine, P. Veeraraghavan Ramachandran, Scott A. McLuckey, Timothy S. Zwier, “UV Photofragmentation and IR Spectroscopy of Cold, G-Type beta-O-4 and beta-beta Dilignol-Alkali Metal Complexes: Structure and Linkage-Dependent Photofragmentation.” J. Phys. Chem. A, 119 (10), 1917-1932 (2015).

Jacob C. Dean, Ryoji Kusaka, Patrick S. Walsh, P. S.; Florent Allais, Timothy S. Zwier, “Plant Sunscreens in the UV-B: Ultraviolet Spectroscopy of Jet-Cooled Sinapoyl Malate, Sinapic Acid, and Sinapate Ester Derivatives.” J. Am. Chem. Soc., 136 (42), 14780-14795 (2014).

Jamie D.Young, Michael Staniforth, Jacob C. Dean, Gareth M. Roberts, Federico Mazzoni, Tolga N. V. Karsili, Michael N. R. Ashfold, Timothy S. Zwier, Vasilios G. Stavros, “Towards Understanding Photodegradation Pathways in Lignins: The Role of Intramolecular Hydrogen Bonding in Excited States.” J. Phys. Chem. Lett., 5 (12), 2138-2143  (2014).

Jacob C. Dean, Patrick S. Walsh, Bidyut Biswas, P. Veeraraghavan Ramachandran, Timothy S. Zwier, “Single-conformation UV and IR spectroscopy of model G-type lignin dilignols: the beta-O-4 and beta-beta linkages.” Chem. Sci., 5 (5), 1940-1955 (2014).Chem. Sci., 5 (5), 1940-1955 (2014).

Jacob C. Dean, Polina Navotnaya, Alexander P. Parobek, Rachel M. Clayton, and Timothy S. Zwier, "Ultraviolet spectroscopy of fundamental lignin subunits: Guaiacol, 4-methylguaiacol, syringol, and 4-methylsyringol", J. Chem. Phys., 139(14), 144313 (2013).

Jacob C. Dean, Deepali Mehta, William H. James III, and Timothy S. Zwier, "Conformation specific spectroscopy and populations of diastereomers of a model monolignol derivative: Chiral effects in a triol chain", J. Phys. Chem. A 115, 8464-8478 (2011).

Chirantha P. Rodrigo and Timothy S. Zwier, "Single-conformation ultraviolet and infrared spectra of jet-cooled monolignols: p-coumaryl alcohol, coniferyl alcohol, and sinapyl alcohol", J. Am. Chem. Soc. 133, 2632-2641 (2011).


Combustion Processes and Astrochemistry

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Deepali N. Mehta-Hurt, Joseph A. Korn, Polina Navotnaya, Alexander P. Parobek, Rachel M. Clayton, Timothy S. Zwier, "The Spectroscopy and Photochemistry of Quinioline Structural Isomers: (E)- and (Z)- phenylvinylnitrile." J. Chem. Phys., 143 (7) (2015).

Deepali N. Mehta-Hurt, Joseph A. Korn, Anna K. Gutberlet, Timothy S. Zwier, “Vibronic Spectroscopy of a Nitrile/Isonitrile Isoelectronic Pair: para-Diisocyanobenzene and para-Isocyanobenzonitrile.” J. Phys. Chem. A, 119 (12), 2863-2877 (2015).

Edwin L. Sibert III, Daniel P. Tabor, Nathanael M. Kidwell, Jacob C. Dean, Timothy S. Zwier, “Fermi Resonance Effects in the Vibrational Spectroscopy of Methyl and Methoxy Groups.” J. Phys. Chem. A, 118 (47), 11272-11281 (2014).

Nathan R. Pillsbury, Nathanael M. Kidwell, Benjamin Nebgen, Lyudmila V. Slipchenko, Kevin O. Douglass, John R. Cable, David F. Plusquellic, Timothy S. Zwier, “Vibronic coupling in asymmetric bichromophores: Experimental investigation of diphenylmethane-d(5).” J. Chem. Phys., 141 (6) (2014).

Nathanael M. Kidwell, Vanesa Vaquero-Vara, Thomas K. Ormond, Grant T. Buckingham, Di Zhang, Deepali N. Mehta-Hurt, Laura McCaslin, Mark R. Nimlos, John W. Daily, Brian C. Dian, John F. Stanton, G. Barney Ellion, Timothy S. Zwier, “ Chirped-Pulse Fourier Transform Microwave Spectroscopy Coupled with a Flash Pyrolysis Microreactor: Structural Determination of the Reactive Intermediate Cyclopentadienone.” J. Phys. Chem. Lett., 5 (13), 2201-2207 (2014).

Nathanael M. Kidwell, Deepali N. Mehta-Hurt, Joseph A. Korn, Edwin L. Sibert III, Timothy S. Zwier, “Ground and excited state infrared spectroscopy of jet-cooled radicals: Exploring the photophysics of trihydronaphthyl and inden-2-ylmethyl.” J. Chem. Phys., 140 (21) (2014).

Edwin L. Sibert III, Nathanael M. Kidwell, and Timothy S. Zwier, "A First-Principles Model of Fermi Resonance in the Alkyl CH Stretch Region: Application to Hydronaphthalenes, Indanes, and Cyclohexane", J. Phys. Chem. B, James L. Skinner Festschrift, (2014).

Nathanael M. Kidwell, Neil J. Reily, Ben Nebgen, Deepali N. Mehta-Hurt, Ross D. Hoen, Damian L. Kokkin, Michael C. McCarthy, Ludymila V. Slipchenko, and Timothy S. Zwier, "Jet-Cooled Spectroscopy of the α-Methylbenzyl Radical: Probing the State-Dependent Effects of Methyl Rocking Against a Radical Site", J. Phys. Chem. A, 117(50), 13465-13480 (2013)

Evan G. Buchanan, Jacob C. Dean, Timothy S. Zwier, and Edwin L. Sibert III, "Towards a first-principles model of Fermi resonance in the alkyl CH stretch Region: Application to 1,2-diphenylethane (DPE) and 2,2,2-paracyclophane (TCP)", J. Chem. Phys., 138(6), 064308, (2013).

Evan G. Buchanan, Patrick S. Walsh, David F. Plusquellic, and Timothy S. Zwier, "Excitonic splitting and vibronic coupling in 1,2-diphenoxyethane:Conformation-specific effects in the weak coupling limit", J. Chem. Phys., 138(20), 204313, (2013).

Joshua A. Sebree, Nathanael M. Kidwell, Talitha M. Selby, Brent K. Amberger, Robert J. McMahon, and Timothy S. Zwier, "Photochemistry of Benzylallene: Ring-closing Reactions to form Naphthalene", J. Am. Chem. Soc. 134, 1153-63 (2012).

Joshua A. Sebree and Timothy S. Zwier, "The Excited States and Vibronic Spectroscopy of Diphenyldiacetylene and Diphenylvinylacetylene", Phys. Chem. Chem. Phys. 14, 173-183 (2012).

Joshua A. Sebree, David F. Plusquellic, and Timothy S. Zwier, "Spectroscopic Characterization of Structural Isomers of Naphthalene: 1-phenyl-1-butyn-3-ene", J. Mol. Spec. 270, 98-107 (2011).

Chirantha P. Rodrigo, Christian W. Müller, Timothy S. Zwier, and David F. Plusquellic, "Rotationally resolved C2 Symmetric Conformers of Bis-(4-hydroxyphenyl)methane: Prototypical Examples of Excitonic Coupling in the S1 and S2 Electronic States", J. Phys. Chem. A 115, 9643-52 (2011).

Joshua A. Sebree, Nathan Kidwell, Evan G. Buchanan, Marek Zgierski, and Timothy S. Zwier, "Spectroscopy and Ionization Thresholds of p-Isoelectronic 1-Phenylallyl and Benzylallenyl Resonance Stabilized Radicals", Chemical Science, 2, 1746-1754 (2011).

Chirantha P. Rodrigo, Christian W. Müller, David F. Plusquellic, and Timothy S. Zwier, "Conformation-specific vibronic spectroscopy and internal mixing in a flexible bichromophore: bis-(4-hydroxyphenyl)methane", J. Chem. Phys. 134, 164312 (2011).

Joshua A. Sebree, Vadim V. Kislov, Alexander M. Mebel, and Timothy S. Zwier, "Isomer specific spectroscopy of C10Hn, n=8-12: Exploring Pathways to Naphthalene in Titan's Atmosphere", (as part of Faraday Discussion 147 entitled "Chemistry of the Planets"), Faraday Discussion 147, 231-249 (2010).

Joshua A. Sebree, Vadim V. Kislov, Alexander M. Mebel, and Timothy S. Zwier, "Spectroscopic and Thermochemical Consequences of site-specific H-atom addition to Naphthalene", J. Phys. Chem. A 114, 6255-62 (2010).

Josh J. Newby, Ching-Ping Liu, Christian W. Müller, William H. James III, Evan G. Buchanan, H. D. Lee, and Timothy S. Zwier, "Spectroscopy and Photophysics of Structural Isomers of Naphthalene: Z-phenylvinylacetylene", J. Chem. Phys. A, 114, 3190-98 (2010).

Christian W. Müller, Josh J. Newby, Ching-Ping Liu, Chirantha P. Rodrigo, and Timothy S. Zwier, "Duschinsky mixing between four non-totally symmetric normal coordinates in the S1-S0 vibronic structure of phenylvinylacetylene: A quantitative analysis", PCCP 12, 2331-43 (2010).

Josh J. Newby, Christian W. Müller, Ching-Ping Liu and Timothy S. Zwier, "Probing E/Z Isomerization on the C10H8 Potential Energy Surface with Ultraviolet Population Transfer Spectroscopy", J. Am. Chem. Soc., 132 (5), 1611 (2010).

Josh J. Newby, Ching-Ping Liu, Christian W. Müller and Timothy S. Zwier, "Jet-cooled vibronic spectroscopy of potential intermediates along the pathway to PAH: Phenylcyclopentadi-1,3-ene", Phys. Chem. Chem. Phys., 11(37), 8316 (2009).

Josh J. Newby, Christian W. Müller, Ching-Ping Liu and Timothy S. Zwier, "Jet-cooled vibronic spectroscopy and asymmetric torsional potentials of phenylcyclopentene", Phys. Chem. Chem. Phys., 11(37), 8330 (2009).

Nathan R. Pillsbury, Christian W. Müller and Timothy S. Zwier, "Conformational Isomerization and Collisional Cooling Dynamics of Bis(2-hydroxyphenyl)methane", J. Phys. Chem. A, 113(17), 5013 (2009).

Nathan R. Pillsbury, Christian W. Müller, W. Leo Meerts, David F. Plusquellic and Timothy S. Zwier, "Conformational Effects on Excitonic Interactions in a Prototypical H-Bonded Bichromophore: Bis(2-hydroxyphenyl)methane", J. Phys. Chem. A, 113(17), 5000 (2009).

Nathan R. Pillsbury and Timothy S. Zwier, "Conformational Isomerization of 5-Phenyl-1-pentene Probed by SEP-Population Transfer Spectroscopy", J. Phys. Chem. A, 113(1), 126 (2009).

Nathan R. Pillsbury and Timothy S. Zwier, "Conformation-Specific Spectroscopy and Excited State Photophysics of 5-Phenyl-1-pentene", J. Phys. Chem. A, 113(1), 118 (2009).

Jaime A. Stearns, Nathan R. Pillsbury, Kevin O. Douglass, Christian W. Müller, Timothy S. Zwier, and David F. Plusquellic, "Rotationally resolved studies of S0 and the exciton coupled S1/S2 origin regions of diphenylmethane and the d12 isotopologue", J. Chem. Phys, 129, 224305 (2008).

Nathan R. Pillsbury, Jaime A. Stearns, Christian W. Müller, David F. Plusquellic, and Timothy S. Zwier, "State-specific studies of internal mixing in a prototypical flexible bichromophore:Diphenylmethane." J. Chem. Phys., 129, 114301 (2008).

Ching-Ping Liu, Josh J. Newby, Christian W. Müller, Hsiupu D. Lee, and Timothy S. Zwier "Spectroscopic Characterization of Structural Isomers of Naphthalene: (E)- and (Z)-Phenylvinylacetylene", J. Phys. Chem. A, 112(39), 9454 (2008).

Josh J. Newby, Jaime A. Stearns, Ching-Ping Liu, and Timothy S. Zwier, "Photochemical and Discharge-Driven Pathways to Aromatic Products from 1,3-Butadiene", J. Phys. Chem. A, 111(43), 10914 (2007).

Nathan R. Pillsbury, Timothy S. Zwier, Richard H. Judge, and Stephen Drucker, "Jet-cooled phosphorescence excitation spectrum of the T1(n,π*) <- S0 transition of 2-cyclopenten-1-one", J. Phys. Chem. A 111(34), 8357 (2007).

Talitha M. Selby, W. Leo Meerts and Timothy S. Zwier, "Isomer-specific ultraviolet spectroscopy of m- and p-divinylbenzene", J. Phys. Chem. A 111(19), 3697 (2007).

Talitha M. Selby and Timothy S. Zwier, "Flexing the muscles of m-divinylbenzene: Direct measurement of the barriers to conformational isomerization", J. Phys. Chem. A 111(19), 3710 (2007).

Dieter Cremer, Elfriede Kraka, Hyun Joo, Jaime A. Stearns, Timothy S. Zwier, "Exploration of the potential energy surface of C4H4 for rearrangement and decomposition reactions of vinylacetylene: A computational study. Part I", Physical Chemistry Chemical Physics, 8, 5304-5316 (2006).

Jaime A. Stearns, Timothy S. Zwier, Elfriede Kraka, Dieter Cremer, "Experimental and computational study of the ultraviolet photolysis of vinylacetylene. Part II", Physical Chemistry Chemical Physics, 8, 5317-5327 (2006).

Talitha M. Selby, Timothy S. zwier, "Conformation-specific spectroscopy of 4-phenyl-1-butyne and 5-phenyl-1-pentyne," J. Phys. Chem. A 109(38), 8487-8496.

Talitha M. Selby, Aloke Das, T. Bekele, H.D. Lee, and Timothy S. Zwier, "Conformation-specific spectroscopy of 3-benzyl-1,5-hexadiyne," J. Phys. Chem. A 109(38), 8497-8506 (2005).

Talitha M. Selby, Jasper R. Clarkson, Diane Mitchell, James A.J. Fitzpatrick, Hsiupu D. Lee, David W. Pratt, and Timothy S. Zwier, "Isomer-specific spectroscopy and conformational isomerization energetics of o-, m-, and p-ethynylstyrenes," J. Phys. Chem. A 109(20), 4484-4496 (2005).

Jaime A. Sterans, Aloke Das, and Timothy S. Zwier, "Hydrogen atom. dislocation in the excited state of anthranilic acid: probing the carbonyl stretch fundamental and the effects of water complexation" Physical Chemistry Chemical Physics, 6 (10), 2605-2610 (2004).

Jaime A. Stearns and Timothy S. Zwier, "The infrared and ultraviolet spectroscopy of jet- cooled ortho-, meta-, and para-diethynylbenzene," J. Phys. Chem. A 107(49), 10717 (2003).

Christopher Ramos, Paul R. Winter, Jaime A. Stearns, and Timothy S. Zwier, "The spectroscopic consequences of C-H...π H-bonding: C6H6-(C4H2)n clusters with n = 1 and 2," J. Phys. Chem. A, 107(48), 10280 (2003).

Allison G. Robinson, Paul R. Winter, and Timothy S. Zwier, "The Ultraviolet Photochemistry of Diacetylene with Styrene",J. Phys. Chem. A 106 (24): 5789-5796 (2002).

Allison G. Robinson, Paul R. Winter, and Timothy S. Zwier, "The singlet-triplet spectroscopy of 1,3-butadiene using cavity ring-down spectroscopy", J. Chem. Phys. 116 (18): 7918-7925 (2002).

Christopher Ramos, Paul R. Winter, Timothy S. Zwier, and Stephen T. Pratt, "Photoelectron Spectroscopy via the 11Δu state of Diacetylene", J. Chem. Phys. 116, 4011 (2002).

Allison G. Robinson, Paul R. Winter, Christopher Ramos, and Timothy S. Zwier, "Ultraviolet Photochemistry of Diacetylene: Reactions with Benzene and Toluene", J. Phys. Chem. A 104, 10312-10320 (2000).

Charles S. McEnally, Allison G. Robinson, Lisa D. Pfefferle, and Timothy S. Zwier, "Aromatic Hydrocarbon Formation in Nonpremixed Flames Doped with Diacetylene, Vinylacetylene, and Other Hydrocarbons: Evidence for Pathways Involving C4 Species", Combustion and Flame 123, 344-357 (2000).

C.A. Arrington, C. Ramos, A.D. Robinson, and T.S. Zwier, "The ultraviolet photochemistry of diacetylene with alkynes and alkenes: Spectroscopic characterization of the products", J. Phys. Chem. A 103, 1294-1299 (1999).

C.A. Arrington, C. Ramos, A.D. Robinson, and T.S. Zwier, "Aromatic Ring-Forming Reactions of Metastable Diacetylene with 1,3-butadiene", J. Phys. Chem. A 102, 3315-3322 (1998).

F.C. Hagemeister, C.A. Arrington, B.J. Giles, B. Quimpo, L. Zhang, and T.S. Zwier, "Cavity ringdown methods for studying intramolecular and intermolecular dynamics", chapter in "Cavity ring-down spectroscopy - An Ultratrace-Absorption Measurement Technique", ed. K.S. Busch and M.A. Busch, ACS Symposium Series 720, Chap. 14, pp. 210-232.

T.S. Zwier and M. Allen, "Metastable diacetylene reactions as routes to large hydrocarbons in Titan's atmosphere", Icarus 123, 578-583 (1996).

D.T. Anderson, S. Davis, T.S. Zwier, and D.J. Nesbitt, "An intense slit discharge source of jet-cooled molecular ions and radicals (Trot < 30 K)" Chem. Phys. Lett. 258, 207-212 (1996).

R.K. Frost, C.A. Arrington, C. Ramos, and T.S. Zwier, "The Ultraviolet Photochemistry of Diacetylene: The Metastable C4H2* Reaction with ethene, propene, and propyne", J. Am. Chem. Soc. 118, 4451-4461 (1996).

R.K. Frost, G. Zavarin, and T.S. Zwier, "The Ultraviolet Photochemistry of Diacetylene: The Metastable C4H2*+C2H2 Reaction in Helium and Nitrogen", J. Phys. Chem. 99, 9408-9415 (1995).

R.E. Bandy, C. Lakshminarayan, R.K. Frost, and T.S. Zwier, "The Ultraviolet Photochemistry of Diacetylene: Direct Detection of Primary Products of the Metastable C4H2* + C4H2 Reaction", J. Chem. Phys. 98, 5362-5374 (1993).

R.E. Bandy, C. Lakshminarayan, R.K. Frost, and T. S. Zwier, "Direct Detection of C4H2 Photochemical Products: Possible Routes to Complex Hydrocarbons in Planetary Atmospheres", Science 258, 1630-1633 (1992).

R.E. Bandy, C. Lakshminarayan, and T.S. Zwier, "Spectroscopy and Photophysics of the 1Δu1Σg+ Transition of Jet-Cooled C4H2, C4HD, and C4D2", J. Phys. Chem. 96, 5337-5343 (1992).


Translation

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F. Duschinsky, "On the Interpretation of Electronic Spectra of Polyatomic Molecules", Acta Physicochimica U.R.S.S., 7, 551-566 (1937).
Translated by Christian W. Müller.


Invited Contributions

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Timothy S. Zwier, "Probing Frozen Molecular Embraces", Science 335, 668-9 (2012).

Timothy S. Zwier, “Isomer separation: Conformers part company”, Nature Chemistry 1, 687-688 (2009)

Timothy S. Zwier, "Squeezing the Water Out of HCl(aq)", Science, 324(5934), 1522 (2009).


Editorials

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Timothy S. Zwier, “Looking beneath the Diffraction Limit and Inside of the Bulk.” J. Phys. Chem. Lett., 6 (3), 394-394 (2015).

Timothy S. Zwier, "Interrogating Interfaces and Core Electrons via Nonlinear Laser Methods", J. Phys. Chem. Lett., 4(2), 303, (2013).

Timothy S. Zwier, "Optical Interrogation of Complex Interfaces", J. Phys. Chem. Lett., 3(20), 3070, (2012).

Timothy S. Zwier, "Photoinduced Dynamics in Membranes and at Interfaces", J. Phys. Chem. Lett., 3(12), 1721, (2012).

Timothy S. Zwier, "Laser probes of Conformational Isomerization in Flexible Molecules and Complexes", J. Phys. Chem. A 110(12) 4133-4150 (2006).