Quantum and quasiclassical studies of the O (3P)+ HCl→ OH+ Cl (2P) reaction using benchmark potential surfaces T Xie, J Bowman, JW Duff, M Braunstein, B Ramachandran
The Journal of chemical physics 122 (1), 2005
79 2005 Mechanical failure of metal/ceramic interfacial regions under shear loading X Zhang, B Zhang, Y Mu, S Shao, CD Wick, BR Ramachandran, WJ Meng
Acta Materialia 138, 224-236, 2017
70 2017 Structure and Properties of Fen n – , and Fen + Clusters, n = 7–20 GL Gutsev, CA Weatherford, P Jena, E Johnson, BR Ramachandran
The Journal of Physical Chemistry A 116 (41), 10218-10228, 2012
70 2012 Potential energy surfaces for the A ″3 and A′ 3 electronic states of the O (3 P)+ HCl system B Ramachandran, KA Peterson
The Journal of chemical physics 119 (18), 9590-9600, 2003
69 2003 Comparison of Storage Mechanisms in RuO2 , SnO2 , and SnS2 for Lithium-Ion Battery Anode Materials AS Hassan, K Moyer, BR Ramachandran, CD Wick
The Journal of Physical Chemistry C 120 (4), 2036-2046, 2016
66 2016 Quantum calculations of the rate constant for the O (3 P)+ HCl reaction on new ab initio A ″3 and A′ 3 surfaces T Xie, JM Bowman, KA Peterson, B Ramachandran
The Journal of chemical physics 119 (18), 9601-9608, 2003
57 2003 Dynamics of the 3 A ″ electronic state: A new ab initio potential energy surface, quasi-classical trajectory study, and comparison to … B Ramachandran, EA Schrader III, J Senekowitsch, RE Wyatt
The Journal of chemical physics 111 (9), 3862-3873, 1999
57 1999 Computational strategies for evaluating barrier heights for gas-phase reactions of lithium enolates LM Pratt, N Van Nguyên, B Ramachandran
The Journal of Organic Chemistry 70 (11), 4279-4283, 2005
51 2005 Unravelling the Material Composition Effects on the Gamma Ray Stability of Lead Halide Perovskite Solar Cells: MAPbI3 Breaks the Records AG Boldyreva, LA Frolova, IS Zhidkov, LG Gutsev, EZ Kurmaev, ...
The Journal of Physical Chemistry Letters 11 (7), 2630-2636, 2020
49 2020 An all-electron density functional theory study of the structure and properties of the neutral and singly charged M12 and M13 clusters: M= Sc–Zn GL Gutsev, CW Weatherford, KG Belay, BR Ramachandran, P Jena
The journal of chemical physics 138 (16), 2013
44 2013 Quantum reaction dynamics of ab initio potential energy surface K Nobusada, H Nakamura, Y Lin, B Ramachandran
The Journal of Chemical Physics 113 (3), 1018-1026, 2000
43 2000 Structures and aggregation states of fluoromethyllithium and chloromethyllithium carbenoids in the gas phase and in ethereal solvent LM Pratt, B Ramachandran, JD Xidos, CJ Cramer, DG Truhlar
The Journal of Organic Chemistry 67 (22), 7607-7612, 2002
41 2002 Highly sensitive and selective ammonia gas sensor based on FAPbCl 3 lead halide perovskites AA Parfenov, OR Yamilova, LG Gutsev, DK Sagdullina, AV Novikov, ...
Journal of Materials Chemistry C 9 (7), 2561-2568, 2021
37 2021 Computational strategies for reactions of aggregated and solvated organolithium carbenoids B Ramachandran, P Kharidehal, LM Pratt, S Voit, FN Okeke, M Ewan
The Journal of Physical Chemistry A 114 (32), 8423-8433, 2010
32 2010 1, 6-Hexanedithiol monolayer as a receptor for specific recognition of alkylmercury HF Ji, Y Zhang, VV Purushotham, S Kondu, B Ramachandran, T Thundat, ...
Analyst 130 (12), 1577-1579, 2005
32 2005 Molecular mechanisms for the lithiation of ruthenium oxide nanoplates as lithium-ion battery anode materials: an experimentally motivated computational study AS Hassan, A Navulla, L Meda, BR Ramachandran, CD Wick
The Journal of Physical Chemistry C 119 (18), 9705-9713, 2015
31 2015 A comparative study of small 3d-metal oxide (FeO) n,(CoO) n, and (NiO) n clusters GL Gutsev, KG Belay, KV Bozhenko, LG Gutsev, BR Ramachandran
Physical Chemistry Chemical Physics 18 (40), 27858-27867, 2016
30 2016 Development and application of interatomic potentials to study the stability and shear strength of Ti/TiN and Cu/TiN interfaces ASM Miraz, N Dhariwal, WJ Meng, BR Ramachandran, CD Wick
Materials & Design 196, 109123, 2020
29 2020 Energy disposal in the B Ramachandran
The Journal of Chemical Physics 112 (8), 3680-3688, 2000
29 2000 The influence of classical resonances on quantum energy levels B Ramachandran, KG Kay
The Journal of chemical physics 99 (5), 3659-3668, 1993
29 1993 
Joel BowmanProfessor of Chemistry, Emory UniversityEmail yang diverifikasi di emory.edu