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Physical Chemistry

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Theoretical and Computational Chemistry

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Mainak Sadhukhan

3 results in Authors: Mainak Sadhukhan

Theoretical and Computational Chemistry

Kinetic energy density for open-shell systems: Analysis and development of a novel technique

Priya Priya, Mainak Sadhukhan

Version 1 posted 02 August 2022

212

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Theoretical and Computational Chemistry

A simple fragment-based method for van der Waals corrections over density functional theory

Prasanta Bandyopadhyay, Priya Priya, Mainak Sadhukhan

Version 1 posted 08 December 2021

328

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Theoretical and Computational Chemistry

Modeling coarse-grained van der Waals interactions using dipole-coupled anisotropic quantum Drude oscillators

Prasanta Bandyopadhyay, Mainak Sadhukhan

Version 1 posted 02 August 2022

246

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