Pratim Kumar Chattaraj - researchr alias

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Viewing Publication 1 - 19 from 19

2025

3 (X = B, Al, Ga; Y = C, Si, Ge) Clusters: A Theoretical StudyBhrigu Chakraborty, Pratim Kumar Chattaraj. jcc, 46(1), 2025. [doi]

2024

2 reduction using aluminum hydride: Generation of in-situ frustrated Lewis pairs and small molecule activation thereinHimangshu Mondal, Pratim Kumar Chattaraj. jcc, 45(14):1098-1111, May 2024. [doi]

2023

Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approachSukanta Mondal, Gourhari Jana, Hemant Kumar Srivastava, Garikapati Narahari Sastry, Pratim Kumar Chattaraj. jcc, 44(15):1446-1453, 2023. [doi]

Electrophilicity index revisitedRanita Pal, Pratim Kumar Chattaraj. jcc, 44(3):278-297, January 2023. [doi]

2022

CSiGaAl2-/0 and CGeGaAl2-/0 having planar tetracoordinate carbon atoms in their global minimum energy structuresPrasenjit Das 0004, Pratim Kumar Chattaraj. jcc, 43(13):894-905, 2022. [doi]

2020

2019

NeVAE: A Deep Generative Model for Molecular GraphsBidisha Samanta, Abir De, Gourhari Jana, Pratim Kumar Chattaraj, Niloy Ganguly, Manuel Gomez-Rodriguez. AAAI 2019: 1110-1117 [doi]

2018

Host-guest interactions between octa acid and cations/nucleobasesDebdutta Chakraborty, Pratim Kumar Chattaraj. jcc, 39(3):161-175, 2018. [doi]

Reactions involving some gas molecules through sequestration on Al12Be cluster: An electron density based studyDebdutta Chakraborty, Pratim Kumar Chattaraj. jcc, 39(10):535-545, 2018. [doi]

Confinement induced thermodynamic and kinetic facilitation of some Diels-Alder reactions inside a CB[7] cavitandDebdutta Chakraborty, Pratim Kumar Chattaraj. jcc, 39(3):151-160, 2018. [doi]

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. jcc, 37(24):2202-2211, 2016. [doi]

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. jcc, 37(2):226-236, 2016. [doi]

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. jcc, 36(29):2168-2176, 2015. [doi]

2012

A computational study on the hydrogen adsorption capacity of various lithium - Doped boron hydridesSudip Pan, Santanab Giri, Pratim Kumar Chattaraj. jcc, 33(4):425-434, 2012. [doi]

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. ijcce, 1(1):61-74, 2011. [doi]

2010

Bonding, aromaticity, and structure of trigonal dianion metal clustersSantanab Giri, Debesh Ranjan Roy, Soma Duley, Arindam Chakraborty, Ramakrishnan Parthasarathi, Munusamy Elango, Ramadoss Vijayaraj, Venkatesan Subramanian, Rafael Islas, Gabriel Merino, Pratim Kumar Chattaraj. jcc, 31(9):1815-1821, 2010. [doi]

2007

Aromaticity in alkali metal clusters: Role of the metalloligand and the size of the metal ionSnehadrinarayan Khatua, Debesh Ranjan Roy, Manish Bhattacharjee, Pratim Kumar Chattaraj. jcmse, 7(5-6):395-408, 2007. [doi]

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