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George L Barnes - Publications

Affiliations: 
2012-2022 Siena College 
 2022- Chemistry Illinois State University, Normal, IL, United States 
Area:
Molecular Dynamics Simulations
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31 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Martin Somer A, Macaluso V, Barnes GL, Yang L, Pratihar S, Song K, Hase WL, Spezia R. Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces. Journal of the American Society For Mass Spectrometry. 31: 2-24. PMID 32881516 DOI: 10.1021/Jasms.9B00062  0.564
2020 Lucas K, Barnes GL. Modeling the Effects of O-sulfonation on the CID of Serine. Journal of the American Society For Mass Spectrometry. PMID 32202776 DOI: 10.1021/Jasms.0C00037  0.42
2020 Barnes GL, Shlaferman A, Strain M. Fast fragmentation during surface-induced dissociation: An examination of peptide size and structure Chemical Physics Letters. 754: 137716. DOI: 10.1016/J.Cplett.2020.137716  0.391
2019 Martin Somer A, Macaluso V, Barnes GL, Yang L, Pratihar S, Song K, Hase WL, Spezia R. Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces Journal of the American Society For Mass Spectrometry. 31: 2-24. DOI: 10.1021/jasms.9b00062  0.47
2018 Frederickson D, McDonough M, Barnes GL. A Computational Comparison of Soft Landing of Alpha-Helical vs Globular Peptides. The Journal of Physical Chemistry. B. PMID 30134109 DOI: 10.1021/Acs.Jpcb.8B06232  0.368
2017 Pratihar S, Ma X, Homayoon Z, Barnes GL, Hase WL. Direct Chemical Dynamics Simulations. Journal of the American Chemical Society. PMID 28118543 DOI: 10.1021/Jacs.6B12017  0.558
2017 Barnes GL, Podczerwinski A. Simulating the Effect of Charge State on Reactive Landing of a Cyclic Tetrapeptide on Chemically Modified Alkylthiolate Self-Assembled Monolayer Surfaces The Journal of Physical Chemistry C. 121: 14628-14635. DOI: 10.1021/Acs.Jpcc.7B03478  0.371
2016 Homayoon Z, Pratihar S, Dratz EA, Snider R, Spezia R, Barnes GL, Macaluso V, Martin Somer A, Hase WL. Model Simulations of the Thermal Dissociation of the TIK(H(+))2 Tripeptide. Mechanisms and Kinetic Parameters. The Journal of Physical Chemistry. A. PMID 27673376 DOI: 10.1021/Acs.Jpca.6B05884  0.561
2016 Pratihar S, Barnes GL, Laskin J, Hase WL. Dynamics of Protonated Peptide Ion Collisions with Organic Surfaces. Consonance of Simulation and Experiment. The Journal of Physical Chemistry Letters. PMID 27467857 DOI: 10.1021/Acs.Jpclett.6B00978  0.558
2015 Pratihar S, Barnes GL, Hase WL. Chemical dynamics simulations of energy transfer, surface-induced dissociation, soft-landing, and reactive-landing in collisions of protonated peptide ions with organic surfaces. Chemical Society Reviews. PMID 26563571 DOI: 10.1039/C5Cs00482A  0.568
2015 Kolakkandy S, Paul AK, Pratihar S, Kohale SC, Barnes GL, Wang H, Hase WL. Energy and temperature dependent dissociation of the Na(+)(benzene)1,2 clusters: importance of anharmonicity. The Journal of Chemical Physics. 142: 044306. PMID 25637986 DOI: 10.1063/1.4906232  0.656
2015 Shaikh K, Blackwood J, Barnes GL. The effect of protonation site and conformation on surface-induced dissociation in a small, lysine containing peptide Chemical Physics Letters. 637: 83-87. DOI: 10.1016/J.Cplett.2015.07.062  0.382
2014 Gregg Z, Ijaz W, Jannetti S, Barnes GL. The role of proton transfer in surface-induced dissociation Journal of Physical Chemistry C. 118: 22149-22155. DOI: 10.1021/Jp507069X  0.384
2014 Lourderaj U, Sun R, Kohale SC, Barnes GL, De Jong WA, Windus TL, Hase WL. The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory Computer Physics Communications. 185: 1074-1080. DOI: 10.1016/J.Cpc.2013.11.011  0.694
2013 Barnes GL, Kellman ME. Time dependent quantum thermodynamics of a coupled quantum oscillator system in a small thermal environment. The Journal of Chemical Physics. 139: 214108. PMID 24320365 DOI: 10.1063/1.4833566  0.564
2013 Ijaz W, Gregg Z, Barnes GL. Complex formation during SID and its effect on proton mobility Journal of Physical Chemistry Letters. 4: 3935-3939. DOI: 10.1021/Jz402093Q  0.376
2013 Geragotelis A, Barnes GL. Surface deposition resulting from collisions between diglycine and chemically modified alkylthiolate self-assembled monolayer surfaces Journal of Physical Chemistry C. 117: 13087-13093. DOI: 10.1021/Jp402424Z  0.428
2012 Barnes GL, Kellman ME. Visualizing the zero order basis of the spectroscopic Hamiltonian. The Journal of Chemical Physics. 136: 024114. PMID 22260571 DOI: 10.1063/1.3674994  0.581
2011 Barnes GL, Kellman ME. Effective Hamiltonian for femtosecond vibrational dynamics. The Journal of Chemical Physics. 135: 144113. PMID 22010704 DOI: 10.1063/1.3650481  0.608
2011 Barnes GL, Young K, Yang L, Hase WL. Fragmentation and reactivity in collisions of protonated diglycine with chemically modified perfluorinated alkylthiolate-self-assembled monolayer surfaces. The Journal of Chemical Physics. 134: 094106. PMID 21384949 DOI: 10.1063/1.3558736  0.57
2011 Barnes GL, Kellman ME. Detailed analysis of polyad-breaking spectroscopic Hamiltonians for multiple minima with above barrier motion: isomerization in HO2. The Journal of Chemical Physics. 134: 074108. PMID 21341829 DOI: 10.1063/1.3552086  0.627
2010 Barnes GL, Kellman ME. Communication: Effective spectroscopic Hamiltonian for multiple minima with above barrier motion: Isomerization in HO(2). The Journal of Chemical Physics. 133: 101105. PMID 20849156 DOI: 10.1063/1.3480017  0.628
2010 Zhang Y, Barnes GL, Yan T, Hase WL. Model non-equilibrium molecular dynamics simulations of heat transfer from a hot gold surface to an alkylthiolate self-assembled monolayer. Physical Chemistry Chemical Physics : Pccp. 12: 4435-45. PMID 20407717 DOI: 10.1039/B923858C  0.6
2009 Barnes GL, Hase WL. Transition state analysis: Bent out of shape. Nature Chemistry. 1: 103-4. PMID 21378815 DOI: 10.1038/Nchem.193  0.547
2009 Barnes GL, Hase WL. Energy transfer, unfolding, and fragmentation dynamics in collisions of N-protonated octaglycine with an H-SAM surface. Journal of the American Chemical Society. 131: 17185-93. PMID 19929018 DOI: 10.1021/Ja904925P  0.566
2009 Barnes GL, Hase WL. NH4(+) + CH4 gas phase collisions as a possible analogue to protonated peptide/surface induced dissociation. The Journal of Physical Chemistry. A. 113: 7543-7. PMID 19358592 DOI: 10.1021/Jp900919S  0.548
2008 Barnes GL, Sibert EL. The effects of asymmetric motions on the tunneling splittings in formic acid dimer. The Journal of Chemical Physics. 129: 164317. PMID 19045276 DOI: 10.1063/1.3000102  0.604
2008 Barnes GL, Squires SM, Sibert EL. Symmetric double proton tunneling in formic acid dimer: a diabatic basis approach. The Journal of Physical Chemistry. B. 112: 595-603. PMID 18004835 DOI: 10.1021/Jp075376E  0.632
2008 Barnes GL, Sibert EL. An equilibrium focused approach to calculating the Raman spectrum of the symmetric OH stretch in formic acid dimer Journal of Molecular Spectroscopy. 249: 78-85. DOI: 10.1016/J.Jms.2008.02.008  0.594
2008 Barnes GL, Sibert EL. Elucidating energy disposal pathways following excitation of the symmetric OH stretching band in formic acid dimer Chemical Physics Letters. 460: 42-45. DOI: 10.1016/J.Cplett.2008.05.090  0.615
2004 Wade EA, Lorenz KT, Chandler DW, Barr JW, Barnes GL, Cline JI. Ion imaging studies of product rotational alignment in collisions of NO (X2Π1/2, j = 0.5) with Ar Chemical Physics. 301: 261-272. DOI: 10.1016/J.Chemphys.2004.02.014  0.311
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