Sriram Goverapet Srinivasan
Sriram Goverapet Srinivasan
Graduate student at Penn State University
Verified email at psu.edu
Title
Cited by
Cited by
Year
Development of a ReaxFF potential for carbon condensed phases and its application to the thermal fragmentation of a large fullerene
SG Srinivasan, ACT Van Duin, P Ganesh
The Journal of Physical Chemistry A 119 (4), 571-580, 2015
1422015
Thermal properties of fluorinated graphene
SK Singh, SG Srinivasan, M Neek-Amal, S Costamagna, ACT Van Duin, ...
Physical Review B 87 (10), 104114, 2013
872013
Graphene to fluorographene and fluorographane: a theoretical study
R Paupitz, PAS Autreto, SB Legoas, SG Srinivasan, ACT van Duin, ...
Nanotechnology 24 (3), 035706, 2013
712013
Molecular-dynamics-based study of the collisions of hyperthermal atomic oxygen with graphene using the ReaxFF reactive force field
S Goverapet Srinivasan, ACT van Duin
The Journal of Physical Chemistry A 115 (46), 13269-13280, 2011
712011
Oxygen interactions with silica surfaces: Coupled cluster and density functional investigation and the development of a new ReaxFF potential
AD Kulkarni, DG Truhlar, S Goverapet Srinivasan, ACT Van Duin, ...
The Journal of Physical Chemistry C 117 (1), 258-269, 2013
622013
Large scale computational chemistry modeling of the oxidation of highly oriented pyrolytic graphite
S Poovathingal, TE Schwartzentruber, SG Srinivasan, ACT Van Duin
The Journal of Physical Chemistry A 117 (13), 2692-2703, 2013
332013
Ni on the CeO 2 (110) and (100) surfaces: adsorption vs. substitution effects on the electronic and geometric structures and oxygen vacancies
WQ Li, SG Srinivasan, DR Salahub, T Heine
Physical Chemistry Chemical Physics 18 (16), 11139-11149, 2016
272016
Determination of a density functional tight binding model with an extended basis set and three-body repulsion for carbon under extreme pressures and temperatures
N Goldman, S Goverapet Srinivasan, S Hamel, LE Fried, M Gaus, ...
The Journal of Physical Chemistry C 117 (15), 7885-7894, 2013
192013
Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure
B Doughty, S Goverapet Srinivasan, VS Bryantsev, D Lee, HN Lee, YZ Ma, ...
The Journal of Physical Chemistry C 121 (26), 14137-14146, 2017
152017
Crystal structures, surface stability, and water adsorption energies of La-bastnäsite via density functional theory and experimental studies
SG Srinivasan, R Shivaramaiah, PRC Kent, AG Stack, A Navrotsky, ...
The Journal of Physical Chemistry C 120 (30), 16767-16781, 2016
152016
Direction dependent etching of diamond surfaces by hyperthermal atomic oxygen: A ReaxFF based molecular dynamics study
SG Srinivasan, ACT Van Duin
Carbon 82, 314-326, 2015
152015
A density functional tight binding model with an extended basis set and three-body repulsion for hydrogen under extreme thermodynamic conditions
SG Srinivasan, N Goldman, I Tamblyn, S Hamel, M Gaus
The Journal of Physical Chemistry A 118 (29), 5520-5528, 2014
142014
A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry
SG Srinivasan, R Shivaramaiah, PRC Kent, AG Stack, R Riman, ...
Physical Chemistry Chemical Physics 19 (11), 7820-7832, 2017
132017
Thermodynamic, Spectroscopic, and Computational Studies of f-Element Complexation by N-Hydroxyethyl-diethylenetriamine-N,N′,N″,N″-tetraacetic Acid
TS Grimes, CR Heathman, S Jansone-Popova, VS Bryantsev, ...
Inorganic chemistry 56 (3), 1722-1733, 2017
112017
Lead-free, stable mixed halide double perovskites Cs2AgBiBr6 and Cs2AgBiBr6− xClx–A detailed theoretical and experimental study
MK Chini, SG Srinivasan, NK Tailor, D Salahub, S Satapathi
Chemical Physics 529, 110547, 2020
52020
Development of a wet grid model for two-phase dispersed flow film boiling phenomena
SG Srinivasan
Pennsylvania State University, 2010
52010
Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases
D Jain, S Chaube, P Khullar, SG Srinivasan, B Rai
Physical Chemistry Chemical Physics 21 (35), 19423-19436, 2019
32019
Differential Stabilization of the Metal–Ligand Complexes between Organic and Aqueous Phases Drives the Selectivity of Phosphoric Acid Ligands toward Heavier Rare Earth Elements
BS Dwadasi, S Gupta, S Daware, S Goverapet Srinivasan, B Rai
Industrial & Engineering Chemistry Research 57 (50), 17209-17217, 2018
32018
Mineral–Water Interface Structure of Xenotime (YPO4) {100}
AG Stack, JE Stubbs, SG Srinivasan, S Roy, VS Bryantsev, PJ Eng, ...
The Journal of Physical Chemistry C 122 (35), 20232-20243, 2018
32018
Hyperthermal oxidation and pyrolysis of carbon based materials: Chemistry and dynamics using the ReaxFF reactive force field
SG Srinivasan
PhDT, 2014
22014
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