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Debdutta Chakraborty

Observed name: Chakraborty, Debdutta
ORCID: 0000-0002-2569-1990
Observed ORCID: 0000-0002-2569-1990
OpenAlex ID: A5000766041
Conceptual density functional theory based electronic structure principles
2021 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Chemical Science · 285
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Bonding, Reactivity, and Dynamics in Confined Systems
2019 · Debdutta Chakraborty, Pratim Kumar Chattaraj · The Journal of Physical Chemistry A · 62
Confinement induced thermodynamic and kinetic facilitation of some Diels–Alder reactions inside a CB[7] cavitand
2017 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Journal of Computational Chemistry · 48
Confinement induced binding in noble gas atoms within a BN-doped carbon nanotube
2015 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Chemical Physics Letters · 34
Encapsulation of small gas molecules and rare gas atoms inside the octa acid cavitand
2016 · Debdutta Chakraborty, Sudip Pan, et al. · Theoretical Chemistry Accounts · 31
Optical response and gas sequestration properties of metal cluster supported graphene nanoflakes
2016 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Physical Chemistry Chemical Physics · 28
Dynamics of Pyrene-Dimer Association and Ensuing Pyrene-Dimer Dissociation
2020 · Debdutta Chakraborty, Hans Lischka, et al. · The Journal of Physical Chemistry A · 27
Does Confinement Always Lead to Thermodynamically and/or Kinetically Favorable Reactions? A Case Study using Diels–Alder Reactions within ExBox+4 and CB[7]
2017 · Debdutta Chakraborty, Ranjita Das, et al. · ChemPhysChem · 27
In Quest of a Superhalogen Supported Covalent Bond Involving a Noble Gas Atom
2015 · Debdutta Chakraborty, Pratim Kumar Chattaraj · The Journal of Physical Chemistry A · 25
Orbital free DFT versus single density equation: a perspective through quantum domain behavior of a classically chaotic system
2015 · Debdutta Chakraborty, Susmita Kar, et al. · Physical Chemistry Chemical Physics · 15
Host–guest interactions between octa acid and cations/nucleobases
2017 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Journal of Computational Chemistry · 12
Sequestration and Activation of Small Gas Molecules on BN-Flakes and the Effect of Various Metal Oxide Molecules therein
2016 · Debdutta Chakraborty, Pratim Kumar Chattaraj · The Journal of Physical Chemistry C · 11
Change in optoelectronic properties of ExBox +4 on functionalization and guest encapsulation
2017 · Debdutta Chakraborty, Ranjita Das, et al. · Physical Chemistry Chemical Physics · 10
Confinement induced catalytic activity in a Diels-Alder reaction: comparison among various CB[n], n = 6–8, cavitands
2018 · Manas Ghara, Debdutta Chakraborty, et al. · Journal of Molecular Modeling · 8
Quantum equivalence of a driven triple-well Van der Pol oscillator: A QTM study
2014 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Chemical Physics · 8
Machine Learning Prediction of Physicochemical Properties in Lithium‐Ion Battery Electrolytes With Active Learning Applied to Graph Neural Networks
2024 · Debojyoti Das, Debdutta Chakraborty · Journal of Computational Chemistry · 7
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Reactions involving some gas molecules through sequestration on Al12Be cluster: An electron density based study
2017 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Journal of Computational Chemistry · 7
Effect of functionalization of boron nitride flakes by main group metal clusters on their optoelectronic properties
2017 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Journal of Physics Condensed Matter · 7
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Density dynamics in some quantum systems
2013 · Munmun Khatua, Debdutta Chakraborty, et al. · International Journal of Quantum Chemistry · 7
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S N 2′-Type Alkylation of gem -Dichlorocyclobutenones with Organotrifluoroborates Enabled by Organophotoredox Catalysis
2025 · Pinku Prasad Mondal, Sourav Das, et al. · Organic Letters · 6
Basic Principles
2022 · Debdutta Chakraborty, Pratim K. Chattaraj · 4
In-silico identification of a Doxorubicin alternative with reduced cardiotoxicity informed by LLM-assisted modeling
2025 · Debojyoti Das, Debdutta Chakraborty · Journal of Molecular Graphics and Modelling · 3
Optical response properties of some metal cluster supported host-guest systems
2022 · Arpita Poddar, Debdutta Chakraborty · Elsevier eBooks · 3
Direct dynamics simulation of the thermal O( 3 P) + dimethylamine reaction in the triplet surface. I. Rate constant and product branching
2022 · Debdutta Chakraborty, William L. Hase · Journal of Physical Organic Chemistry · 3
Possible sequestration of polar gas molecules by superhalogen supported aluminum nitride nanoflakes
2016 · Debdutta Chakraborty, Pratim Kumar Chattaraj · Journal of Molecular Modeling · 3
Works count: 43
Citation count: 688
H-index: 11
I10-index: 13
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