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ORCIDPratim Kumar Chattaraj
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2020 – today
- 2025
[j18]Bhrigu Chakraborty, Pratim Kumar Chattaraj
:
Exploring the Possibility of a Planar Tetracoordinate Boron in BXY3 (X = B, Al, Ga; Y = C, Si, Ge) Clusters: A Theoretical Study. J. Comput. Chem. 46(1) (2025)- 2024
- [j17]Himangshu Mondal, Pratim Kumar Chattaraj:
CO2 reduction using aluminum hydride: Generation of in-situ frustrated Lewis pairs and small molecule activation therein. J. Comput. Chem. 45(14): 1098-1111 (2024) - 2023
- [j16]Ranita Pal, Pratim Kumar Chattaraj:
Electrophilicity index revisited. J. Comput. Chem. 44(3): 278-297 (2023) - [j15]Sukanta Mondal, Gourhari Jana, Hemant Kumar Srivastava, Garikapati Narahari Sastry, Pratim Kumar Chattaraj:
Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach. J. Comput. Chem. 44(15): 1446-1453 (2023) - 2022
- [j14]Prasenjit Das, Pratim Kumar Chattaraj:
CSiGaAl2-/0 and CGeGaAl2-/0 having planar tetracoordinate carbon atoms in their global minimum energy structures. J. Comput. Chem. 43(13): 894-905 (2022) - 2020
- [j13]Prasenjit Das, Ranajit Saha, Pratim Kumar Chattaraj:
Encapsulation of Mg2 inside a C60 cage forms an electride. J. Comput. Chem. 41(17): 1645-1653 (2020) - [j12]Gourhari Jana, Pratim Kumar Chattaraj:
Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational study. J. Comput. Chem. 41(28): 2398-2405 (2020) - [j11]Bidisha Samanta, Abir De, Gourhari Jana, Vicenç Gómez, Pratim Kumar Chattaraj, Niloy Ganguly, Manuel Gomez-Rodriguez:
NEVAE: A Deep Generative Model for Molecular Graphs. J. Mach. Learn. Res. 21: 114:1-114:33 (2020)
2010 – 2019
- 2019
- [c1]Bidisha Samanta, Abir De, Gourhari Jana, Pratim Kumar Chattaraj, Niloy Ganguly, Manuel Gomez Rodriguez:
NeVAE: A Deep Generative Model for Molecular Graphs. AAAI 2019: 1110-1117 - 2018
- [j10]Debdutta Chakraborty, Pratim Kumar Chattaraj:
Confinement induced thermodynamic and kinetic facilitation of some Diels-Alder reactions inside a CB[7] cavitand. J. Comput. Chem. 39(3): 151-160 (2018) - [j9]Debdutta Chakraborty, Pratim Kumar Chattaraj:
Host-guest interactions between octa acid and cations/nucleobases. J. Comput. Chem. 39(3): 161-175 (2018) - [j8]Debdutta Chakraborty, Pratim Kumar Chattaraj:
Reactions involving some gas molecules through sequestration on Al12Be cluster: An electron density based study. J. Comput. Chem. 39(10): 535-545 (2018) - 2016
- [j7]Sudip Pan, Diego Moreno, Sreyan Ghosh, Pratim Kumar Chattaraj, Gabriel Merino:
Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br). J. Comput. Chem. 37(2): 226-236 (2016) - [j6]Manas Ghara, Sudip Pan, Anand Kumar, Gabriel Merino, Pratim Kumar Chattaraj:
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. 37(24): 2202-2211 (2016) - 2015
- [j5]Sudip Pan, Ashutosh Gupta, Ranajit Saha, Gabriel Merino, Pratim Kumar Chattaraj:
A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au). J. Comput. Chem. 36(29): 2168-2176 (2015) - 2012
- [j4]Sudip Pan, Santanab Giri, Pratim Kumar Chattaraj:
A computational study on the hydrogen adsorption capacity of various lithium - Doped boron hydrides. J. Comput. Chem. 33(4): 425-434 (2012) - 2011
- [j3]Ashutosh Kumar Gupta, Arindam Chakraborty, Santanab Giri, Venkatesan Subramanian, Pratim Kumar Chattaraj:
Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR). Int. J. Chemoinformatics Chem. Eng. 1(1): 61-74 (2011) - 2010
- [j2]Santanab Giri, Debesh Ranjan Roy, Soma Duley, Arindam Chakraborty, Ramakrishnan Parthasarathi, Munusamy Elango, Ramadoss Vijayaraj, Venkatesan Subramanian, Rafael Islas, Gabriel Merino, Pratim Kumar Chattaraj:
Bonding, aromaticity, and structure of trigonal dianion metal clusters. J. Comput. Chem. 31(9): 1815-1821 (2010)
2000 – 2009
- 2007
- [j1]Snehadrinarayan Khatua, Debesh Ranjan Roy, Manish Bhattacharjee, Pratim Kumar Chattaraj:
Aromaticity in alkali metal clusters: Role of the metalloligand and the size of the metal ion. J. Comput. Methods Sci. Eng. 7(5-6): 395-408 (2007)
Coauthor Index
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