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Sree Ganesh Balasubramani
Sree Ganesh Balasubramani
University of California, San Francisco
Verificeret mail på uci.edu - Startside
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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
The Journal of chemical physics 152 (18), 2020
7532020
Random-phase approximation methods
GP Chen, VK Voora, MM Agee, SG Balasubramani, F Furche
Annual Review of Physical Chemistry 68, 421-445, 2017
1762017
Synthesis, Structure, and Magnetism of Tris(amide) [Ln{N(SiMe3)2}3]1− Complexes of the Non‐traditional +2 Lanthanide Ions
AJ Ryan, LE Darago, SG Balasubramani, GP Chen, JW Ziller, F Furche, ...
Chemistry–A European Journal 24 (30), 7702-7709, 2018
782018
Variational generalized Kohn-Sham approach combining the random-phase-approximation and Green's-function methods
VK Voora, SG Balasubramani, F Furche
Physical Review A 99 (1), 012518, 2019
522019
Noble gas encapsulation into carbon nanotubes: Predictions from analytical model and DFT studies
SG Balasubramani, D Singh, RS Swathi
The Journal of Chemical Physics 141 (18), 2014
232014
Formation of the End-on Bound Lanthanide Dinitrogen Complexes [(R2N)3Ln–N═N–Ln(NR2)3]2– from Divalent [(R2N)3Ln]1– Salts (R = SiMe3)
AJ Ryan, SG Balasubramani, JW Ziller, F Furche, WJ Evans
Journal of the American Chemical Society 142 (20), 9302-9313, 2020
202020
High-Resolution X-ray Photoelectron Spectroscopy of Organometallic (C5H4SiMe3)3LnIII and [(C5H4SiMe3)3LnII]1– Complexes (Ln = Sm, Eu, Gd, Tb)
DN Huh, JP Bruce, S Ganesh Balasubramani, SR Ciccone, F Furche, ...
Journal of the American Chemical Society 143 (40), 16610-16620, 2021
192021
C. vanWüllen, VK Voora, F. Weigend, A. Wodyński, JM Yu
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
J. Chem. Phys 152, 184107, 2020
102020
Exploring the solvation of acetic acid in water using liquid jet x-ray photoelectron spectroscopy and core level electron binding energy calculations
JP Bruce, K Zhang, SG Balasubramani, AR Haines, RP Galhenage, ...
The Journal of Physical Chemistry B 125 (31), 8862-8868, 2021
82021
Connecting conformational motions to rapid dynamics in human purine nucleoside phosphorylase
CF Frost, SG Balasubramani, D Antoniou, SD Schwartz
The Journal of Physical Chemistry B 127 (1), 144-150, 2022
62022
Transition Path Sampling Based Calculations of Free Energies for Enzymatic Reactions: The Case of Human Methionine Adenosyl Transferase and Plasmodium vivax Adenosine Deaminase
SG Balasubramani, SD Schwartz
The Journal of Physical Chemistry B 126 (29), 5413-5420, 2022
42022
Static polarizabilities within the generalized Kohn–Sham semicanonical projected random phase approximation (GKS-spRPA)
SG Balasubramani, VK Voora, F Furche
The Journal of Chemical Physics 157 (16), 2022
32022
Transition Path Sampling Study of Engineered Enzymes That Catalyze the Morita–Baylis–Hillman Reaction: Why Is Enzyme Design so Difficult?
SG Balasubramani, K Korchagina, S Schwartz
Journal of Chemical Information and Modeling, 2024
2024
Elucidation of the mechanism and the free energy of a Morita-Baylis-Hillman type reaction catalyzed by enzymes using transition path sampling
SG Balasubramani, SD Schwartz
Biophysical Journal 122 (3), 424a, 2023
2023
Connection between slow and fast dynamics in human purine nucleoside phosphorylase
CF Frost, SG Balasubramani, D Antoniou, SD Schwartz
Biophysical Journal 122 (3), 43a, 2023
2023
Variational random phase approximation method for accurate ionization potentials and interaction energies
V Voora, SG Balasubramani, F Furche
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Molecular properties within the generalized Kohn–Sham random phase approximation DISSERTATION
SG Balasubramani
UNIVERSITY OF CALIFORNIA, IRVINE, 2019
2019
Density functionals for electronic excitations
B Krull, SG Balasubramani, S Parker, F Furche
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Non-covalent interactions using orbital optimized random-phase approximation
V Voora, SG Balasubramani, F Furche
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Electronic structure methods for small-gap systems
F Furche, V Voora, SG Balasubramani, G Chen, A Le, M Muuronen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
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