Pratim Kumar Chattaraj

20 papers A* 1Journal 19

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Information-Theoretic Perspectives on Chemical Problems: Recent Developments and Applications. Entropy Arpita Poddar, Pratim Kumar Chattaraj
2025	J	`jnl`	Exploring the Possibility of a Planar Tetracoordinate Boron in BXY J. Comput. Chem. Bhrigu Chakraborty, Pratim Kumar Chattaraj
2024	J	`jnl`	CO J. Comput. Chem. Himangshu Mondal, Pratim Kumar Chattaraj
2023	J	`jnl`	Electrophilicity index revisited. J. Comput. Chem. Ranita Pal, Pratim Kumar Chattaraj
2023	J	`jnl`	Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach. J. Comput. Chem. Sukanta Mondal, Gourhari Jana, Hemant Kumar Srivastava, Garikapati Narahari Sastry, Pratim Kumar Chattaraj
2022	J	`jnl`	CSiGaAl2-/0 and CGeGaAl2-/0 having planar tetracoordinate carbon atoms in their global minimum energy structures. J. Comput. Chem. Prasenjit Das, Pratim Kumar Chattaraj
2020	J	`jnl`	Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational study. J. Comput. Chem. Gourhari Jana, Pratim Kumar Chattaraj
2020	J	`jnl`	Encapsulation of Mg2 inside a C60 cage forms an electride. J. Comput. Chem. Prasenjit Das, Ranajit Saha, Pratim Kumar Chattaraj
2020	J	`jnl`	NEVAE: A Deep Generative Model for Molecular Graphs. J. Mach. Learn. Res. Bidisha Samanta, Abir De, Gourhari Jana, Vicenç Gómez, Pratim Kumar Chattaraj, Niloy Ganguly, Manuel Gomez-Rodriguez
2019	A*	`conf`	NeVAE: A Deep Generative Model for Molecular Graphs. AAAI Bidisha Samanta, Abir De, Gourhari Jana, Pratim Kumar Chattaraj, Niloy Ganguly, Manuel Gomez Rodriguez
2018	J	`jnl`	Confinement induced thermodynamic and kinetic facilitation of some Diels-Alder reactions inside a CB[7] cavitand. J. Comput. Chem. Debdutta Chakraborty, Pratim Kumar Chattaraj
2018	J	`jnl`	Host-guest interactions between octa acid and cations/nucleobases. J. Comput. Chem. Debdutta Chakraborty, Pratim Kumar Chattaraj
2018	J	`jnl`	Reactions involving some gas molecules through sequestration on Al12Be cluster: An electron density based study. J. Comput. Chem. Debdutta Chakraborty, Pratim Kumar Chattaraj
2016	J	`jnl`	Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br). J. Comput. Chem. Sudip Pan, Diego Moreno, Sreyan Ghosh, Pratim Kumar Chattaraj, Gabriel Merino
2016	J	`jnl`	Structure, stability, and nature of bonding in carbon monoxide bound EX3+ complexes (E = group 14 element; X = H, F, Cl, Br, I). J. Comput. Chem. Manas Ghara, Sudip Pan, Anand Kumar, Gabriel Merino, Pratim Kumar Chattaraj
2015	J	`jnl`	A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au). J. Comput. Chem. Sudip Pan, Ashutosh Gupta, Ranajit Saha, Gabriel Merino, Pratim Kumar Chattaraj
2012	J	`jnl`	A computational study on the hydrogen adsorption capacity of various lithium - Doped boron hydrides. J. Comput. Chem. Sudip Pan, Santanab Giri, Pratim Kumar Chattaraj
2011	J	`jnl`	Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR). Int. J. Chemoinformatics Chem. Eng. Ashutosh Kumar Gupta, Arindam Chakraborty, Santanab Giri, Venkatesan Subramanian, Pratim Kumar Chattaraj
2010	J	`jnl`	Bonding, aromaticity, and structure of trigonal dianion metal clusters. J. Comput. Chem. Santanab Giri, Debesh Ranjan Roy, Soma Duley, Arindam Chakraborty, Ramakrishnan Parthasarathi, Munusamy Elango, Ramadoss Vijayaraj, Venkatesan Subramanian, Rafael Islas, Gabriel Merino, Pratim Kumar Chattaraj
2007	J	`jnl`	Aromaticity in alkali metal clusters: Role of the metalloligand and the size of the metal ion. J. Comput. Methods Sci. Eng. Snehadrinarayan Khatua, Debesh Ranjan Roy, Manish Bhattacharjee, Pratim Kumar Chattaraj