Sriram Goverapet Srinivasan
Sriram Goverapet Srinivasan
Graduate student at Penn State University
Verified email at psu.edu
TitleCited byYear
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
1142015
Thermal properties of fluorinated graphene
SK Singh, SG Srinivasan, M Neek-Amal, S Costamagna, ACT Van Duin, ...
Physical Review B 87 (10), 104114, 2013
742013
Graphene to fluorographene and fluorographane: a theoretical study
R Paupitz, PAS Autreto, SB Legoas, SG Srinivasan, ACT van Duin, ...
Nanotechnology 24 (3), 035706, 2013
642013
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
622011
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, 2012
562012
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
302013
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
202016
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
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
132014
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
112017
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
82017
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
82017
Crystal Structures, Surface Stability, and Water Adsorption Energies of La-Bastnasite 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
72016
Development of a wet grid model for two-phase dispersed flow film boiling phenomena
SG Srinivasan
Pennsylvania State University, 2010
52010
Hyperthermal oxidation and pyrolysis of carbon based materials: Chemistry and dynamics using the ReaxFF reactive force field
SG Srinivasan
22014
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
12018
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
12018
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
2020
A Statistical Learning Framework for Accelerated Bandgap Prediction of Inorganic Compounds
S Chaube, P Khullar, SG Srinivasan, B Rai
Journal of Electronic Materials 49 (1), 752-762, 2020
2020
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Articles 1–20