Pratim Kumar Chattaraj

According to our database, Pratim Kumar Chattaraj authored at least 18 papers between 2007 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

CO₂ reduction using aluminum hydride: Generation of in-situ frustrated Lewis pairs and small molecule activation therein.

Himangshu Mondal, Pratim Kumar Chattaraj

J. Comput. Chem., May, 2024

2023

Electrophilicity index revisited.

Ranita Pal, Pratim Kumar Chattaraj

J. Comput. Chem., January, 2023

Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach.

Sukanta Mondal, Gourhari Jana, Hemant Kumar Srivastava, Garikapati Narahari Sastry, Pratim Kumar Chattaraj

J. Comput. Chem., 2023

2022

CSiGaAl2-/0 and CGeGaAl2-/0 having planar tetracoordinate carbon atoms in their global minimum energy structures.

Prasenjit Das, Pratim Kumar Chattaraj

J. Comput. Chem., 2022

2020

NEVAE: A Deep Generative Model for Molecular Graphs.

Bidisha Samanta, Abir De, Gourhari Jana, Vicenç Gómez, Pratim Kumar Chattaraj, Niloy Ganguly, Manuel Gomez-Rodriguez

J. Mach. Learn. Res., 2020

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

Gourhari Jana, Pratim Kumar Chattaraj

J. Comput. Chem., 2020

Encapsulation of Mg2 inside a C60 cage forms an electride.

Prasenjit Das, Ranajit Saha, Pratim Kumar Chattaraj

J. Comput. Chem., 2020

2019

NeVAE: A Deep Generative Model for Molecular Graphs.

Bidisha Samanta, Abir De, Gourhari Jana, Pratim Kumar Chattaraj, Niloy Ganguly, Manuel Gomez Rodriguez

Proceedings of the Thirty-Third AAAI Conference on Artificial Intelligence, 2019

2018

Reactions involving some gas molecules through sequestration on Al12Be cluster: An electron density based study.

Debdutta Chakraborty, Pratim Kumar Chattaraj

J. Comput. Chem., 2018

Host-guest interactions between octa acid and cations/nucleobases.

Debdutta Chakraborty, Pratim Kumar Chattaraj

J. Comput. Chem., 2018

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

Debdutta Chakraborty, Pratim Kumar Chattaraj

J. Comput. Chem., 2018

2016

Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br).

Sudip Pan, Diego Moreno, Sreyan Ghosh, Pratim Kumar Chattaraj, Gabriel Merino

J. Comput. Chem., 2016

Structure, stability, and nature of bonding in carbon monoxide bound EX3+ complexes (E = group 14 element; X = H, F, Cl, Br, I).

Manas Ghara, Sudip Pan, Anand Kumar, Gabriel Merino, Pratim Kumar Chattaraj

J. Comput. Chem., 2016

2015

A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au).

Sudip Pan, Ashutosh Gupta, Ranajit Saha, Gabriel Merino, Pratim Kumar Chattaraj

J. Comput. Chem., 2015

2012

A computational study on the hydrogen adsorption capacity of various lithium - Doped boron hydrides.

Sudip Pan, Santanab Giri, Pratim Kumar Chattaraj

J. Comput. Chem., 2012

2011

Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR).

Ashutosh Kumar Gupta, Arindam Chakraborty, Santanab Giri, Venkatesan Subramanian, Pratim Kumar Chattaraj

Int. J. Chemoinformatics Chem. Eng., 2011

2010

Bonding, aromaticity, and structure of trigonal dianion metal clusters.

Santanab Giri, Debesh Ranjan Roy, Soma Duley, Arindam Chakraborty, Ramakrishnan Parthasarathi, Munusamy Elango, Ramadoss Vijayaraj, Venkatesan Subramanian, Rafael Islas, Gabriel Merino, Pratim Kumar Chattaraj

J. Comput. Chem., 2010

2007

Aromaticity in alkali metal clusters: Role of the metalloligand and the size of the metal ion.

Snehadrinarayan Khatua, Debesh Ranjan Roy, Manish Bhattacharjee, Pratim Kumar Chattaraj

J. Comput. Methods Sci. Eng., 2007