Pratim Kumar Chattaraj (Pratim K Chattaraj)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 59

Top Venues

The journal of physical chemistry. A

Journal of computational chemistry

Physical chemistry chemical physics : PCCP

Molecules (Basel, Switzerland)

Indian Institute of Technology Kharagpur

Indian Institute of Technology Bombay (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Indian Institute of Technology Kharagpur

India

professor :: chemistry

Education History

Indian Institute of Technology Bombay Jan 02 1983 - Nov 29 1987

India

PHD :: chemistry

Publications

Himangshu Mondal, Pratim Kumar Chattaraj
Frustrated Lewis pair-mediated hydro-dehalogenation: crucial role of non-covalent interactions. Journal of molecular modeling 30 (7) (2024)
Himangshu Mondal, Pratim Kumar Chattaraj
CO 2 reduction using aluminum hydride: Generation of in-situ frustrated Lewis pairs and small molecule activation therein. Journal of computational chemistry (2024)
Bhrigu Chakraborty, Ranita Pal, Dilip Kumar Pratihar, Pratim Kumar Chattaraj
Bonobo Optimizer: A New Tool Toward the Global Optimization of Small Atomic Clusters. The journal of physical chemistry. A 128 (19) (2024)
Bhrigu Chakraborty, Ranita Pal, Dilip Kumar Pratihar, Pratim Kumar Chattaraj
Bonobo Optimizer: A New Tool Toward the Global Optimization of Small Atomic Clusters. The journal of physical chemistry. A (2024)
Himangshu Mondal, Pratim Kumar Chattaraj
Frustrated Lewis pair-mediated hydro-dehalogenation: crucial role of non-covalent interactions. Journal of molecular modeling 30 (7) (2024)
Ranita Pal, Pratim Kumar Chattaraj
Structure, stability, reactivity and bonding in noble gas compounds. Physical chemistry chemical physics : PCCP (2024)
Himangshu Mondal, Pratim Kumar Chattaraj
CO 2 reduction using aluminum hydride: Generation of in-situ frustrated Lewis pairs and small molecule activation therein. Journal of computational chemistry 45 (14) (2024)
Ranita Pal, Pratim Kumar Chattaraj
Structure, stability, reactivity and bonding in noble gas compounds. Physical chemistry chemical physics : PCCP 26 (13) (2024)
Sukanta Mondal, Gourhari Jana, Hemant Kumar Srivastava, Garikapati N Sastry, Pratim Kumar Chattaraj
Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach. Journal of computational chemistry (2023)
Manas Ghara, Himangshu Mondal, Ranita Pal, Pratim Kumar Chattaraj
Frustrated Lewis Pairs: Bonding, Reactivity, and Applications. The journal of physical chemistry. A (2023)
Ranita Pal, Pratim Kumar Chattaraj
On the Nature of the Partial Covalent Bond between Noble Gas Elements and Noble Metal Atoms. Molecules (Basel, Switzerland) 28 (7) (2023)
Himangshu Mondal, Pratim Kumar Chattaraj
Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron-Based Frustrated Lewis Pairs. ChemistryOpen 13 (4) (2023)
Navya Arepalli, Sukanta Mondal, Debdutta Chakraborty, Pratim Kumar Chattaraj
Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki-Miyaura and Metal-Cluster Mediated Reactions. Molecules (Basel, Switzerland) 28 (16) (2023)
Ranita Pal, Prasenjit Das, Pratim Kumar Chattaraj
Global Optimization: A Soft Computing Perspective. The journal of physical chemistry letters (2023)
Himangshu Mondal, Pratim Kumar Chattaraj
Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron-Based Frustrated Lewis Pairs. ChemistryOpen 13 (4) (2023)
Himangshu Mondal, Pratim Kumar Chattaraj
Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron-Based Frustrated Lewis Pairs. ChemistryOpen 13 (4) (2023)
Himangshu Mondal, Pratim Kumar Chattaraj
Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron-Based Frustrated Lewis Pairs. ChemistryOpen 13 (4) (2023)
Himangshu Mondal, Pratim Kumar Chattaraj
Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron-Based Frustrated Lewis Pairs. ChemistryOpen (2023)
Ranita Pal, Arpita Poddar, Pratim Kumar Chattaraj
On the Periodicity of the Information Theory and Conceptual DFT-Based Reactivity Descriptors. The journal of physical chemistry. A 126 (39) (2022)
Ranita Pal, Pratim Kumar Chattaraj
Can the Fluxionality in Borospherene Influence the Confinement-Induced Bonding between Two Noble Gas Atoms? Molecules (Basel, Switzerland) 27 (24) (2022)
Ranajit Saha, Prasenjit Das, Pratim Kumar Chattaraj
Molecular Electrides: An In Silico Perspective. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (23) (2022)
Ranita Pal, Pratim Kumar Chattaraj
Can the Fluxionality in Borospherene Influence the Confinement-Induced Bonding between Two Noble Gas Atoms? Molecules (Basel, Switzerland) 27 (24) (2022)
Ranita Pal, Shanti Gopal Patra, Pratim Kumar Chattaraj
Quantitative Structure-Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective. Pharmaceuticals (Basel, Switzerland) 15 (11) (2022)
Prasenjit Das, Shanti Gopal Patra, Pratim Kumar Chattaraj
CB 6 Al 0/+ : Planar hexacoordinate boron (phB) in the global minimum structure. Physical chemistry chemical physics : PCCP 24 (37) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Prasenjit Das, Pratim Kumar Chattaraj
CSiGaAl 2 -/0 and CGeGaAl 2 -/0 having planar tetracoordinate carbon atoms in their global minimum energy structures. Journal of computational chemistry 43 (13) (2022)
Bhrigu Chakraborty, Ruchi Jha, Susmita Kar, Pratim Kumar Chattaraj
Controlling Tunneling Oscillation and Quantum Localization in an Asymmetric Double-Well Potential: A Bohmian Perspective. The journal of physical chemistry. A 126 (29) (2022)
Prasenjit Das, Maya Khatun, Anakuthil Anoop, Pratim Kumar Chattaraj
CSi n Ge 4 -n 2+ ( n = 1-3): prospective systems containing planar tetracoordinate carbon (ptC). Physical chemistry chemical physics : PCCP 24 (27) (2022)
Ranita Pal, Pratim Kumar Chattaraj
Can the Fluxionality in Borospherene Influence the Confinement-Induced Bonding between Two Noble Gas Atoms? Molecules (Basel, Switzerland) 27 (24) (2022)
Ranita Pal, Pratim Kumar Chattaraj
Electrophilicity index revisited. Journal of computational chemistry (2022)
Ranita Pal, Pratim Kumar Chattaraj
Can the Fluxionality in Borospherene Influence the Confinement-Induced Bonding between Two Noble Gas Atoms? Molecules (Basel, Switzerland) 27 (24) (2022)
Gourhari Jana, Ranita Pal, Pratim Kumar Chattaraj
XNgNSi (X = HCC, F; Ng = Kr, Xe, Rn): A New Class of Metastable Insertion Compounds Containing Ng-C/F and Ng-N Bonds and Possible Isomerization therein. The journal of physical chemistry. A (2021)
Prasenjit Das, Pratim Kumar Chattaraj
Substituent Effects on Electride Characteristics of Mg2(η5-C5H5)2: A Theoretical Study. The journal of physical chemistry. A 125 (28) (2021)
Dongbo Zhao, Xin He, Meng Li, Bin Wang, Chunna Guo, Chunying Rong, Pratim Kumar Chattaraj, Shubin Liu
Density functional theory studies of boron clusters with exotic properties in bonding, aromaticity and reactivity. Physical chemistry chemical physics : PCCP 23 (42) (2021)
Debdutta Chakraborty, Pratim Kumar Chattaraj
Conceptual density functional theory based electronic structure principles. Chemical science 12 (18) (2021)
Chunna Guo, Xin He, Chunying Rong, Tian Lu, Shubin Liu, Pratim Kumar Chattaraj
Local Temperature as a Chemical Reactivity Descriptor. The journal of physical chemistry letters 12 (23) (2021)
Utpal Sarkar, Pratim Kumar Chattaraj
Reactivity Dynamics. The journal of physical chemistry. A 125 (10) (2021)
Manas Ghara, Santanab Giri, Pratim Kumar Chattaraj
Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study. The journal of physical chemistry. A 124 (22) (2020)
Prasenjit Das, Pratim Kumar Chattaraj
Electride Characteristics of Some Binuclear Sandwich Complexes of Alkaline Earth Metals, M2(η5-L)2 (M = Be, Mg; L = C5H5-, N5-, P5-, As5-). The journal of physical chemistry. A 124 (47) (2020)
Sudip Pan, Gourhari Jana, Ranajit Saha, Li-Li Zhao, Pratim Kumar Chattaraj
Intriguing structural, bonding and reactivity features in some beryllium containing complexes. Physical chemistry chemical physics : PCCP (2020)
Prasenjit Das, Ranajit Saha, Pratim Kumar Chattaraj
Encapsulation of Mg2 inside a C60 cage forms an electride. Journal of computational chemistry 41 (17) (2020)
Gourhari Jana, Pratim Kumar Chattaraj
Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational study. Journal of computational chemistry 41 (28) (2020)
Ranajit Saha, Gourhari Jana, Sudip Pan, Gabriel Merino, Pratim Kumar Chattaraj
How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account. Molecules (Basel, Switzerland) 24 (16) (2019)
Sudip Pan, Gourhari Jana, Gabriel Merino, Pratim Kumar Chattaraj
Noble-Noble Strong Union: Gold at Its Best to Make a Bond with a Noble Gas Atom. ChemistryOpen 8 (2) (2019)
Manas Ghara, Sudip Pan, Pratim Kumar Chattaraj
A theoretical investigation on boron-ligand cooperation to activate molecular hydrogen by a frustrated Lewis pair and subsequent reduction of carbon dioxide. Physical chemistry chemical physics : PCCP 21 (38) (2019)
Ranajit Saha, Sudip Pan, Gabriel Merino, Pratim Kumar Chattaraj
Unprecedented Bonding Situation in Viable E2 (NHBMe )2 (E=Be, Mg; NHBMe =(HCNMe )2 B) Complexes: Neutral E2 Forms a Single E-E Covalent Bond. Angewandte Chemie (International ed. in English) 58 (25) (2019)
Manas Ghara, Sudip Pan, Pratim Kumar Chattaraj
Donor-Acceptor vs Electron-Shared Bonding: Triatomic SinC3-n (n ≤ 3) Clusters Stabilized by Cyclic Alkyl(amino) Carbene. The journal of physical chemistry. A 123 (50) (2019)
Debdutta Chakraborty, Pratim Kumar Chattaraj
Bonding, Reactivity, and Dynamics in Confined Systems. The journal of physical chemistry. A 123 (21) (2019)
Debdutta Chakraborty, Ranjita Das, Pratim Kumar Chattaraj
Change in optoelectronic properties of ExBox+4 on functionalization and guest encapsulation. Physical chemistry chemical physics : PCCP 19 (34) (2018)
Gourhari Jana, Sudip Pan, Gabriel Merino, Pratim Kumar Chattaraj
Noble Gas Inserted Metal Acetylides (Metal = Cu, Ag, Au). The journal of physical chemistry. A 122 (37) (2018)
Ranita Pal, Gourhari Jana, Shamik Sural, Pratim Kumar Chattaraj
Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure-toxicity relationship. Chemical biology & drug design 93 (6) (2018)
Ramón Alain Miranda-Quintana, Pratim Kumar Chattaraj, Paul W Ayers
Finite temperature grand canonical ensemble study of the minimum electrophilicity principle. The Journal of chemical physics 147 (12) (2018)
Gourhari Jana, Sudip Pan, Pratim Kumar Chattaraj
Binding of Small Gas Molecules by Metal-Bipyridyl Monocationic Complexes (Metal = Cu, Ag, Au) and Possible Bond Activations Therein. The journal of physical chemistry. A 121 (19) (2017)
Debdutta Chakraborty, Pratim Kumar Chattaraj
Host-guest interactions between octa acid and cations/nucleobases. Journal of computational chemistry 39 (3) (2017)
Debdutta Chakraborty, Pratim Kumar Chattaraj
Reactions involving some gas molecules through sequestration on Al12 Be cluster: An electron density based study. Journal of computational chemistry 39 (10) (2017)
Ranajit Saha, Susmita Kar, Sudip Pan, Gerardo Martínez-Guajardo, Gabriel Merino, Pratim Kumar Chattaraj
A Spinning Umbrella: Carbon Monoxide and Dinitrogen Bound MB12- Clusters (M = Co, Rh, Ir). The journal of physical chemistry. A 121 (15) (2017)
Gourhari Jana, Sudip Pan, Gabriel Merino, Pratim Kumar Chattaraj
MNgCCH (M = Cu, Ag, Au; Ng = Xe, Rn): The First Set of Compounds with M-Ng-C Bonding Motif. The journal of physical chemistry. A 121 (34) (2017)
Debdutta Chakraborty, Pratim Kumar Chattaraj
Confinement induced thermodynamic and kinetic facilitation of some Diels-Alder reactions inside a CB[7] cavitand. Journal of computational chemistry 39 (3) (2017)
Ranajit Saha, Sudip Pan, Pratim Kumar Chattaraj
NgMCp+: Noble Gas Bound Half-Sandwich Complexes (Ng = He-Rn, M = Be-Ba, and Cp = η5-C5H5). The journal of physical chemistry. A 121 (18) (2017)

Pratim Kumar Chattaraj.css-eqlu8i{font-size:small;padding-left:4px;} (Pratim K Chattaraj)

Publication Activity (10 Years)

Top Topics

Top Venues

Pratim Kumar Chattaraj (Pratim K Chattaraj)