Direct measurement of the preferred sense of NO rotation after collision with argon KT Lorenz, DW Chandler, JW Barr, W Chen, GL Barnes, JI Cline Science 293 (5537), 2063-2066, 2001 | 164 | 2001 |
Direct Chemical Dynamics Simulations S Pratihar, X Ma, Z Homayoon, GL Barnes, WL Hase Journal of the American Chemical Society 139 (10), 3570-3590, 2017 | 141 | 2017 |
The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory U Lourderaj, R Sun, SC Kohale, GL Barnes, WA de Jong, TL Windus, ... Computer Physics Communications 185 (3), 1074-1080, 2014 | 109 | 2014 |
Ion imaging studies of product rotational alignment in collisions of NO (X2Π1/2, j= 0.5) with Ar EA Wade, KT Lorenz, DW Chandler, JW Barr, GL Barnes, JI Cline Chemical physics 301 (2-3), 261-272, 2004 | 60 | 2004 |
Energy Transfer, Unfolding, and Fragmentation Dynamics in Collisions of N-Protonated Octaglycine with an H-SAM Surface GL Barnes, WL Hase Journal of the American Chemical Society 131 (47), 17185-17193, 2009 | 59 | 2009 |
Symmetric double proton tunneling in formic acid dimer: a diabatic basis approach GL Barnes, SM Squires, EL Sibert The Journal of Physical Chemistry B 112 (2), 595-603, 2008 | 59 | 2008 |
AutoMeKin2021: An open‐source program for automated reaction discovery E Martínez‐Núñez, GL Barnes, DR Glowacki, S Kopec, D Peláez, ... Journal of computational chemistry 42 (28), 2036-2048, 2021 | 58 | 2021 |
Fragmentation and reactivity in collisions of protonated diglycine with chemically modified perfluorinated alkylthiolate-self-assembled monolayer surfaces GL Barnes, K Young, L Yang, WL Hase The Journal of chemical physics 134 (9), 094106, 2011 | 44 | 2011 |
Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters Z Homayoon, S Pratihar, E Dratz, R Snider, R Spezia, GL Barnes, ... The Journal of Physical Chemistry A 120 (42), 8211-8227, 2016 | 42 | 2016 |
Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters Z Homayoon, S Pratihar, E Dratz, R Snider, R Spezia, GL Barnes, ... The Journal of Physical Chemistry A 120 (42), 8211-8227, 2016 | 42 | 2016 |
Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces A Martin Somer, V Macaluso, GL Barnes, L Yang, S Pratihar, K Song, ... Journal of The American Society for Mass Spectrometry 31 (1), 2-24, 2019 | 38 | 2019 |
Dynamics of Protonated Peptide Ion Collisions with Organic Surfaces: Consonance of Simulation and Experiment S Pratihar, GL Barnes, J Laskin, WL Hase The Journal of Physical Chemistry Letters 7 (16), 3142-3150, 2016 | 38 | 2016 |
The effects of asymmetric motions on the tunneling splittings in formic acid dimer GL Barnes, EL Sibert III The Journal of chemical physics 129 (16), 164317, 2008 | 37 | 2008 |
Chemical dynamics simulations of energy transfer, surface-induced dissociation, soft-landing, and reactive-landing in collisions of protonated peptide ions with organic surfaces S Pratihar, GL Barnes, WL Hase Chemical Society Reviews 45 (13), 3595-3608, 2016 | 33 | 2016 |
Energy and temperature dependent dissociation of the Na+ (benzene) 1, 2 clusters: Importance of anharmonicity S Kolakkandy, AK Paul, S Pratihar, SC Kohale, GL Barnes, H Wang, ... The Journal of chemical physics 142 (4), 044306, 2015 | 33 | 2015 |
An equilibrium focused approach to calculating the Raman spectrum of the symmetric OH stretch in formic acid dimer GL Barnes, EL Sibert III Journal of Molecular Spectroscopy 249 (2), 78-85, 2008 | 30 | 2008 |
Recombination and reaction dynamics following photodissociation of CH3OCl in solution CG Elles, MJ Cox, GL Barnes, FF Crim The Journal of Physical Chemistry A 108 (50), 10973-10979, 2004 | 28 | 2004 |
Model non-equilibrium molecular dynamics simulations of heat transfer from a hot gold surface to an alkylthiolate self-assembled monolayer Y Zhang, GL Barnes, T Yan, WL Hase Physical Chemistry Chemical Physics 12 (17), 4435-4445, 2010 | 27 | 2010 |
Transition state analysis: Bent out of shape GL Barnes, WL Hase Nature Chemistry 1 (2), 103-104, 2009 | 27* | 2009 |
The Role of Proton Transfer in Surface-Induced Dissociation Z Gregg, W Ijaz, SJ Jannetti, GL Barnes Journal of Physical Chemistry C, 2014 | 25 | 2014 |