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Issue Date
Title
Author(s)
May-2022
Exploration of Bilayer-boron Clusters using Density Functional Theory
Jemmis, Eluvathingal D.
;
PAUL, SIMANTINI
;
Dept. of Chemistry
;
20171017
May-2023
Carbon vacancy Mediated CH4 Activation and Carbon-Carbon Coupling on TiC(001) surface : A First Principles Investigation
GHOSH, PRASENJIT
;
PAL, RAPTI
;
Dept. of Chemistry
;
20181092
Jun-2014
Electronic Structure Characterization of Molecular Interactions in Clathrate Hydrates
VENKATNATHAN, ARUN
;
RAMYA, K. R.
;
Dept. of Chemistry
;
20103060
Aug-2023
Nuclear Quantum Effects in Hydrogen-Bonded Systems: A Path Integral Molecular Dynamics Study
GHOSH, PRASENJIT
;
MONDAL, UNMESH
;
Dept. of Chemistry
;
20152031
Discover
Author
1
MONDAL, UNMESH
1
PAL, RAPTI
1
PAUL, SIMANTINI
1
RAMYA, K. R.
Subject
1
Bilayers
1
Boron Clusters
1
Clathrate hydrates
1
Methane activation
1
Nuclear Quantum Effects
1
Nudge Elastic band
1
Path integral Molecular Dynamics
1
QM/MM
1
Raman Spectra
Date issued
2
2023
1
2022
1
2014