Concepedia

Debajit Chakraborty

DC

20

Publications

808

Citations

15

H-Index

1998

Active since

Affiliations

McMaster University(Current)

Emory University

University of Florida

University of Wyoming

University of Chile

Debajit Chakraborty is an author at McMaster University specializing in engineering, computational chemistry, and quantum chemistry.

Top concepts

EngineeringNatural SciencesQuantum ChemistryComputational ChemistryPhysicsChemistryChemical KineticsPhysical ChemistryApplied PhysicsChemical Engineering

Publications per year

1998–2023

20

Publications

20

Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations

Valentin V. Karasiev, Debajit Chakraborty, Olga A. Shukruto et al. · Physical Review B · 2013 · 128 citations · Full text

Numerical Analysis, Engineering, Minuscule Fraction +17

Next-Generation Nonlocal van der Waals Density Functional

Debajit Chakraborty, Kristian Berland, Timo Thonhauser · Journal of Chemical Theory and Computation · 2020 · 118 citations · Full text

Entropy contributions to phase stability in binary random solid solutions

Anus Manzoor, Shubham Pandey, Debajit Chakraborty et al. · npj Computational Materials · 2018 · 104 citations · Full text

<i>Ab initio</i> molecular orbital/Rice–Ramsperger–Kassel–Marcus theory study of multichannel rate constants for the unimolecular decomposition of benzene and the H+C6H5 reaction over the ground electronic state

Alexander M. Mebel, M. C. Lin, Debajit Chakraborty et al. · The Journal of Chemical Physics · 2001 · 51 citations

Engineering, Potential Energy Surface, Proton-coupled Electron Transfer +21

Theoretical study of the OH+NO2 reaction: formation of nitric acid and the hydroperoxyl radical

Debajit Chakraborty, Jeanie Park, M. C. Lin · Chemical Physics · 1998 · 50 citations

Chemical Kinetics, Theoretical Study, Engineering +12

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