Force field and a surface model database for silica to simulate interfacial properties in atomic resolution FS Emami, V Puddu, RJ Berry, V Varshney, SV Patwardhan, CC Perry, ...
Chemistry of Materials 26 (8), 2647-2658, 2014
519 2014 Chemistry of aqueous silica nanoparticle surfaces and the mechanism of selective peptide adsorption SV Patwardhan, FS Emami, RJ Berry, SE Jones, RR Naik, O Deschaume, ...
Journal of the American Chemical Society 134 (14), 6244-6256, 2012
429 2012 Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules J Feng, RB Pandey, RJ Berry, BL Farmer, RR Naik, H Heinz
Soft Matter 7 (5), 2113-2120, 2011
240 2011 Molecular dynamics simulation study of norbornene–POSS polymers RK Bharadwaj, RJ Berry, BL Farmer
Polymer 41 (19), 7209-7221, 2000
219 2000 Prediction of specific biomolecule adsorption on silica surfaces as a function of pH and particle size FS Emami, V Puddu, RJ Berry, V Varshney, SV Patwardhan, CC Perry, ...
Chemistry of Materials 26 (19), 5725-5734, 2014
151 2014 AlphaFold2 models indicate that protein sequence determines both structure and dynamics HB Guo, A Perminov, S Bekele, G Kedziora, S Farajollahi, V Varaljay, ...
Scientific reports 12 (1), 10696, 2022
150 2022 Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds CS Ewig, R Berry, U Dinur, JR Hill, MJ Hwang, H Li, C Liang, JON Maple, ...
Journal of computational chemistry 22 (15), 1782-1800, 2001
109 2001 Computational study of the kinetics of hydrogen abstraction from fluoromethanes by the hydroxyl radical M Schwartz, P Marshall, RJ Berry, CJ Ehlers, GA Petersson
The Journal of Physical Chemistry A 102 (49), 10074-10081, 1998
104 1998 Vibrational spectra and assignments, normal coordinate analyses, a b i n i t i o calculations, and conformational stability of the propenoyl halides JR Durig, RJ Berry, P Groner
The Journal of chemical physics 87 (11), 6303-6322, 1987
101 1987 Spectroscopic evaluation of charge-transfer doping and strain in graphene/ R Rao, AE Islam, S Singh, R Berry, RK Kawakami, B Maruyama, J Katoch
Physical Review B 99 (19), 195401, 2019
100 2019 The use of scaled moments of inertia in experimental structure determinations of polyatomic molecules RJ Berry, MD Harmony
Structural Chemistry 1, 49-59, 1990
98 1990 Molecular engineering of interphases in polymer/carbon nanotube composites to reach the limits of mechanical performance C Pramanik, D Nepal, M Nathanson, JR Gissinger, A Garley, RJ Berry, ...
Composites Science and Technology 166, 86-94, 2018
77 2018 Halon thermochemistry: ab initio calculations of the enthalpies of formation of fluoromethanes RJ Berry, DRF Burgess Jr, MR Nyden, MR Zachariah, M Schwartz
The Journal of Physical Chemistry 99 (47), 17145-17150, 1995
69 1995 Simulations of peptide-graphene interactions in explicit water AN Camden, SA Barr, RJ Berry
The Journal of Physical Chemistry B 117 (37), 10691-10697, 2013
68 2013 A computational study of the reactions of atomic hydrogen with fluoromethanes: kinetics and product channels RJ Berry, CJ Ehlers, DR Burgess Jr, MR Zachariah, P Marshall
Chemical physics letters 269 (1-2), 107-116, 1997
60 1997 Halon thermochemistry: calculated enthalpies of formation of chlorofluoromethanes RJ Berry, DRF Burgess, MR Nyden, MR Zachariah, CF Melius, ...
The Journal of Physical Chemistry 100 (18), 7405-7410, 1996
58 1996 Dielectric characteristics of polyimide CP2 JD Jacobs, MJ Arlen, DH Wang, Z Ounaies, R Berry, LS Tan, PH Garrett, ...
Polymer 51 (14), 3139-3146, 2010
53 2010 On the nature of epoxy resin post-curing JC Moller, RJ Berry, HA Foster
Polymers 12 (2), 466, 2020
49 2020 Impact of polymer structure and confinement on the kinetics of Zdol 4000 bonding to amorphous‐hydrogenated carbon RJ Waltman, GW Tyndall, J Pacansky, RJ Berry
Tribology Letters 7, 91-102, 1999
41 1999 Bond breaking in stretched molecules: multi-reference methods versus density functional theory GS Kedziora, SA Barr, R Berry, JC Moller, TD Breitzman
Theoretical Chemistry Accounts 135 (3), 79, 2016
40 2016 