List of works - Pratim K Chattaraj

3D‐QSAR Studies on the Inhibitory Activity of Trimethoprim Analogues against Escherichia coli Dihydrofolate Reductase ⬇️

scientific article published on March 19, 2012

A (T–P) Phase Diagram of Hydrogen Storage on (N4C3H)6Li6 ⬇️

scientific article published on March 16, 2012

A Spinning Umbrella: Carbon Monoxide and Dinitrogen Bound MB12- Clusters (M = Co, Rh, Ir).

scientific article published on 31 March 2017

A molecular dynamics study on sI hydrogen hydrate ⬇️

scientific article published on October 24, 2012

A theoretical investigation on boron-ligand cooperation to activate molecular hydrogen by a frustrated Lewis pair and subsequent reduction of carbon dioxide

scientific article published on 20 September 2019

A tug-of-war between electronic excitation and confinement in a dynamical context ⬇️

scientific article published on December 21, 2011

Binding of Small Gas Molecules by Metal-Bipyridyl Monocationic Complexes (Metal = Cu, Ag, Au) and Possible Bond Activations Therein.

scientific article published on 27 April 2017

Bonding, Reactivity, and Dynamics in Confined Systems

scientific article published on 11 April 2019

Change in optoelectronic properties of ExBox+4 on functionalization and guest encapsulation

scientific article published on 21 August 2017

Confinement induced thermodynamic and kinetic facilitation of some Diels-Alder reactions inside a CB[7] cavitand.

scientific article published in November 2017

Donor-Acceptor vs Electron-Shared Bonding: Triatomic SinC3-n (n ≤ 3) Clusters Stabilized by Cyclic Alkyl(amino) Carbene

scientific article published on 10 December 2019

Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational study

scientific article published on 21 August 2020

Electride Characteristics of Some Binuclear Sandwich Complexes of Alkaline Earth Metals, M2(η5-L)2 (M = Be, Mg; L = C5H5-, N5-, P5-, As5-)

scientific article published on 15 November 2020

Electrophilicity index revisited

scientific article published on 12 May 2022

Encapsulation of Mg2 inside a C60 cage forms an electride

scientific article published on 08 April 2020

Finite temperature grand canonical ensemble study of the minimum electrophilicity principle.

scientific article published in September 2017

Host-guest interactions between octa acid and cations/nucleobases

scientific article published on 4 November 2017

How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account

scientific article published on 13 August 2019

Hydrogen Storage in Clathrate Hydrates ⬇️

scientific article published on December 14, 2010

Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure-toxicity relationship

scientific article published on 30 December 2018

Intriguing structural, bonding and reactivity features in some beryllium containing complexes

scientific article published on 20 November 2020

MNgCCH (M = Cu, Ag, Au; Ng = Xe, Rn): The First Set of Compounds with M-Ng-C Bonding Motif.

scientific article published in August 2017

Molecular reactivity dynamics in a confined environment ⬇️

scientific article published on April 21, 2013

NgMCp+: Noble Gas Bound Half-Sandwich Complexes (Ng = He-Rn, M = Be-Ba, and Cp = η5-C5H5).

scientific article published on 19 April 2017

Noble Gas Inserted Metal Acetylides (Metal = Cu, Ag, Au)

scientific article published on 06 September 2018

Noble-Noble Strong Union: Gold at Its Best to Make a Bond with a Noble Gas Atom

scientific article published on 29 January 2019

Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand ⬇️

scientific article published on November 8, 2012

Reactions involving some gas molecules through sequestration on Al12 Be cluster: An electron density based study