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Robert Paton
Robert Paton
Fixman Ladanyi Professor of Chemistry, Colorado State University
E-mail confirmado em colostate.edu - Página inicial
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Computational study of bond dissociation enthalpies for a large range of native and modified lignins
S Kim, SC Chmely, MR Nimlos, YJ Bomble, TD Foust, RS Paton, ...
The Journal of Physical Chemistry Letters 2 (22), 2846-2852, 2011
4392011
A mechanistic investigation of acid-catalyzed cleavage of aryl-ether linkages: implications for lignin depolymerization in acidic environments
MR Sturgeon, S Kim, K Lawrence, RS Paton, SC Chmely, M Nimlos, ...
ACS Sustainable Chemistry & Engineering 2 (3), 472-485, 2014
4032014
GoodVibes: automated thermochemistry for heterogeneous computational chemistry data
G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton
F1000Research 9 (291), 291, 2020
3942020
Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost
PC St. John, Y Guan, Y Kim, S Kim, RS Paton
Nature communications 11 (1), 2328, 2020
2742020
Indolyne and Aryne Distortions and Nucleophilic Regioselectivites
PHY Cheong, RS Paton, SM Bronner, GYJ Im, NK Garg, KN Houk
Journal of the American Chemical Society 132 (4), 1267-1269, 2010
2552010
Cation–π interactions in protein–ligand binding: theory and data-mining reveal different roles for lysine and arginine
K Kumar, SM Woo, T Siu, WA Cortopassi, F Duarte, RS Paton
Chemical science 9 (10), 2655-2665, 2018
2542018
Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases use a copper-oxyl, oxygen-rebound mechanism
S Kim, J Ståhlberg, M Sandgren, RS Paton, GT Beckham
Proceedings of the National Academy of Sciences 111 (1), 149-154, 2014
2532014
Computing organic stereoselectivity–from concepts to quantitative calculations and predictions
Q Peng, F Duarte, RS Paton
Chemical Society Reviews 45 (22), 6093-6107, 2016
2522016
Indolyne experimental and computational studies: synthetic applications and origins of selectivities of nucleophilic additions
GYJ Im, SM Bronner, AE Goetz, RS Paton, PHY Cheong, KN Houk, ...
Journal of the American Chemical Society 132 (50), 17933-17944, 2010
2472010
Hydrogen bonding and π-stacking: how reliable are force fields? A critical evaluation of force field descriptions of nonbonded interactions
RS Paton, JM Goodman
Journal of chemical information and modeling 49 (4), 944-955, 2009
2272009
Diels–Alder reactivities of strained and unstrained cycloalkenes with normal and inverse-electron-demand dienes: Activation barriers and distortion/interaction analysis
F Liu, RS Paton, S Kim, Y Liang, KN Houk
Journal of the American Chemical Society 135 (41), 15642-15649, 2013
2232013
Heterobiaryl synthesis by contractive C–C coupling via P (V) intermediates
MC Hilton, X Zhang, BT Boyle, JV Alegre-Requena, RS Paton, A McNally
Science 362 (6416), 799-804, 2018
1962018
Correlating reactivity and selectivity to cyclopentadienyl ligand properties in Rh (III)-catalyzed C–H activation reactions: an experimental and computational study
T Piou, F Romanov-Michailidis, M Romanova-Michaelides, KE Jackson, ...
Journal of the American Chemical Society 139 (3), 1296-1310, 2017
1912017
Asymmetric nucleophilic fluorination under hydrogen bonding phase-transfer catalysis
G Pupo, F Ibba, DMH Ascough, AC Vicini, P Ricci, KE Christensen, ...
Science 360 (6389), 638-642, 2018
1732018
Small molecule inhibitors of bromodomain–acetyl-lysine interactions
M Brand, AM Measures, BG Wilson, WA Cortopassi, R Alexander, ...
ACS chemical biology 10 (1), 22-39, 2015
1622015
Conformational effects on physical-organic descriptors: the case of sterimol steric parameters
AV Brethomé, SP Fletcher, RS Paton
ACS catalysis 9 (3), 2313-2323, 2019
1612019
Total synthesis of (−)-himalensine A
H Shi, IN Michaelides, B Darses, P Jakubec, QNN Nguyen, RS Paton, ...
Journal of the American Chemical Society 139 (49), 17755-17758, 2017
1602017
Rapid Cross-Metathesis for Reversible Protein Modifications via Chemical Access to Se-Allyl-selenocysteine in Proteins
YA Lin, O Boutureira, L Lercher, B Bhushan, RS Paton, BG Davis
Journal of the American Chemical Society 135 (33), 12156-12159, 2013
1542013
Experimental Diels–Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained through Transition‐State Distortion Energies
RS Paton, S Kim, AG Ross, SJ Danishefsky, KN Houk
Angewandte Chemie 123 (44), 10550-10552, 2011
1542011
Gold (I)-catalyzed intermolecular hydroalkoxylation of allenes: a DFT study
RS Paton, F Maseras
Organic letters 11 (11), 2237-2240, 2009
1402009
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Artigos 1–20