List of works - Sanghamitra Mukhopadhyay

Adsorbed States of Hydrogen on Platinum: A New Perspective

scientific article published on 17 April 2019

Characterization of Lewis acid sites on the (100) surface of beta-AlF3: Ab initio calculations of NH3 adsorption.

scientific article published in June 2008

Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

scientific article

Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework.

scientific article

Dynamics of chemical bond: general discussion

scientific article published on 01 January 2015

Electronic structure of Lewis acid sites on high surface area aluminium fluorides: a combined XPS and ab initio investigation.

scientific article published in July 2009

Heads or tails: how do chemically substituted fullerenes melt?

scientific article

Hydrogen-bond structure and anharmonicity in croconic acid

scientific article published on 3 November 2014

Identification of possible Lewis acid sites on the β-AlF3(100) surface: an ab initio total energy study

scientific article published on 01 December 2005

Intrinsic electron mobility in narrow Ga0.47In0.53As quantum wells

scientific article published on 01 December 1993

Li-Ion Diffusion Correlations in LiAlGeO 4 : Quasielastic Neutron Scattering and Ab Initio Simulation

scientific article published on 21 October 2022

Local and Global Dynamics: general discussion

scientific article published on 01 January 2015

Mechanism of enhancement of ferroelectricity of croconic acid with temperature.

scientific article published on 13 November 2017

Molecular (and Lattice) Dynamics to Analyse Neutron Scattering Experiments 2016—MDANSE2016

On the microscopic mechanism behind the purely orientational disorder-disorder transition in the plastic phase of 1-chloroadamantane.

scientific article published on 20 July 2017

Phonons and oxygen diffusion in Bi2O3 and (Bi0.7Y0.3)2O3

scientific article published on 14 April 2020

Quasielastic neutron scattering measurements and ab initio MD-simulations on single ion motions in molten NaF.

scientific article published on January 2016

Reactivity of the β-AlF3(100) surface: defects, fluorine mobility and catalysis of the CCl2F2 dismutation reaction

article

Structural dynamics of a metal-organic framework induced by CO migration in its non-uniform porous structure

scientific article published on 01 March 2019

List of works by Sanghamitra Mukhopadhyay

Adsorbed States of Hydrogen on Platinum: A New Perspective

Characterization of Lewis acid sites on the (100) surface of beta-AlF3: Ab initio calculations of NH3 adsorption.

Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework.

Dynamics of chemical bond: general discussion

Electronic structure of Lewis acid sites on high surface area aluminium fluorides: a combined XPS and ab initio investigation.

Heads or tails: how do chemically substituted fullerenes melt?

Hydrogen-bond structure and anharmonicity in croconic acid

Identification of possible Lewis acid sites on the β-AlF3(100) surface: an ab initio total energy study

Intrinsic electron mobility in narrow Ga0.47In0.53As quantum wells

Li-Ion Diffusion Correlations in LiAlGeO 4 : Quasielastic Neutron Scattering and Ab Initio Simulation

Local and Global Dynamics: general discussion

Mechanism of enhancement of ferroelectricity of croconic acid with temperature.

Molecular (and Lattice) Dynamics to Analyse Neutron Scattering Experiments 2016—MDANSE2016

On the microscopic mechanism behind the purely orientational disorder-disorder transition in the plastic phase of 1-chloroadamantane.

Phonons and oxygen diffusion in Bi<sub>2</sub>O<sub>3</sub> and (Bi<sub>0.7</sub>Y<sub>0.3</sub>)<sub>2</sub>O<sub>3</sub>

Quasielastic neutron scattering measurements and ab initio MD-simulations on single ion motions in molten NaF.

Reactivity of the β-AlF3(100) surface: defects, fluorine mobility and catalysis of the CCl2F2 dismutation reaction

Structural dynamics of a metal-organic framework induced by CO migration in its non-uniform porous structure

Understanding the Role of Molecular Diffusion and Catalytic Selectivity in Liquid-Phase Beckmann Rearrangement