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
438 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
410 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
228 2011 Molecular dynamics simulation study of norbornene–POSS polymers RK Bharadwaj, RJ Berry, BL Farmer
Polymer 41 (19), 7209-7221, 2000
221 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
148 2014 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
107 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 The use of scaled moments of inertia in experimental structure determinations of polyatomic molecules RJ Berry, MD Harmony
Structural Chemistry 1, 49-59, 1990
96 1990 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
93 1987 Spectroscopic evaluation of charge-transfer doping and strain in graphene/ heterostructures R Rao, AE Islam, S Singh, R Berry, RK Kawakami, B Maruyama, J Katoch
Physical Review B 99 (19), 195401, 2019
84 2019 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
74 2018 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
67 2022 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
67 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
65 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
52 2010 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
39 1999 Thermodynamic Properties (ΔH f (298), S (298), and C p (T ) (300 ≤ T ≤ 1500)) of Fluorinated Propanes T Yamada, JW Bozzelli, RJ Berry
The Journal of Physical Chemistry A 103 (28), 5602-5610, 1999
38 1999 The use of scaled moments of inertia in experimental structure determinations: Extension to simple molecules containing hydrogen RJ Berry, MD Harmony
Journal of Molecular Spectroscopy 128 (1), 176-194, 1988
38 1988