Pratim Kumar Chattaraj

Affiliations

Department of Chemistry and Centre for Theoretical Studies Indian Institute of Technology Kharagpur, Kharagpur 721302, India. pkc@chem.iitkgp.ac.in.
Department of Chemistry, Indian Institute of Technology Bombay, Mumbai 400076, India. pkc@chem.iitkgp.ac.in.

ORCID: 0000-0002-5650-7666

Publications (39)

How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account.

Molecules (Basel, Switzerland)

Avec: Ranajit Saha , Gourhari Jana , Sudip Pan , Gabriel Merino , Pratim Kumar Chattaraj

Low Operating Voltage Organic Field-Effect Transistors with Gelatin as a Moisture-Induced Ionic Dielectric Layer: The Issues of High Carrier Mobility.

ACS applied materials & interfaces

Avec: Suman Mandal , Ajoy Mandal , Gourhari Jana , Samik Mallik , Satyajit Roy , Arnab Ghosh , Pratim Kumar Chattaraj , Dipak K Goswami

Density functional theory studies of boron clusters with exotic properties in bonding, aromaticity and reactivity.

Physical chemistry chemical physics : PCCP

Avec: Dongbo Zhao , Xin He , Meng Li , Bin Wang , Chunna Guo , Chunying Rong , Pratim K Chattaraj , Shubin Liu

Conceptual density functional theory based electronic structure principles.

Chemical science

Avec: Debdutta Chakraborty , Pratim Kumar Chattaraj

Possible effects of fluxionality of a cavitand on its catalytic activity through confinement.

Physical chemistry chemical physics : PCCP

Avec: Ranita Pal , Pratim Kumar Chattaraj

Revisiting the trapping of noble gases (He-Kr) by the triatomic H

Journal of molecular modeling

Avec: Xin He , Chunna Guo , Meng Li , Shujing Zhong , Xinjie Wan , Chunying Rong , Pratim K Chattaraj , Dongbo Zhao

Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron-Based Frustrated Lewis Pairs.

ChemistryOpen

Avec: Himangshu Mondal , Pratim Kumar Chattaraj

Reactivity Dynamics.

The journal of physical chemistry. A

Avec: Utpal Sarkar , Pratim Kumar Chattaraj

Is It Possible To Determine Oxidation States for Atoms in Molecules Using Density-Based Quantities? An Information-Theoretic Approach and Conceptual Density Functional Theory Study.

The journal of physical chemistry. A

Avec: Jingyi Wu , Donghai Yu , Siyuan Liu , Chunying Rong , Aiguo Zhong , Pratim K Chattaraj , Shubin Liu

Bonding, Reactivity, and Dynamics in Confined Systems.

The journal of physical chemistry. A

Avec: Debdutta Chakraborty , Pratim Kumar Chattaraj

Metal-Organic Frameworks of Cu(II) Constructed from Functionalized Ligands for High Capacity H

Inorganic chemistry

Avec: Mayank Gupta , Nabanita Chatterjee , Dinesh De , Ranajit Saha , Pratim Kumar Chattaraj , Clive L Oliver , Parimal K Bharadwaj

Cycloaddition Reactions between H

The journal of physical chemistry. A

Avec: Manas Ghara , Santanab Giri , Pratim Kumar Chattaraj

Two Closely Related Zn(II)-MOFs for Their Large Difference in CO

Inorganic chemistry

Avec: Santanu Chand , Arun Pal , Ranajit Saha , Prasenjit Das , Rupam Sahoo , Pratim K Chattaraj , Madhab C Das

Local Temperature as a Chemical Reactivity Descriptor.

The journal of physical chemistry letters

Avec: Chunna Guo , Xin He , Chunying Rong , Tian Lu , Shubin Liu , Pratim Kumar Chattaraj

CSi

Physical chemistry chemical physics : PCCP

Avec: Prasenjit Das , Maya Khatun , Anakuthil Anoop , Pratim Kumar Chattaraj

CSiGaAl

Journal of computational chemistry

Avec: Prasenjit Das , Pratim Kumar Chattaraj

Structure, stability, reactivity and bonding in noble gas compounds.

Physical chemistry chemical physics : PCCP

Avec: Ranita Pal , Pratim Kumar Chattaraj

Encapsulation of Mg

Journal of computational chemistry

Avec: Prasenjit Das , Ranajit Saha , Pratim K Chattaraj

Changes in Structure and Reactivity of Ng

Frontiers in chemistry

Avec: Meng Li , Xin He , Bin Wang , Dongbo Zhao , Chunying Rong , Pratim K Chattaraj , Shubin Liu

Donor-Acceptor vs Electron-Shared Bonding: Triatomic Si

The journal of physical chemistry. A

Avec: Manas Ghara , Sudip Pan , Pratim K Chattaraj

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

Journal of computational chemistry

Avec: Gourhari Jana , Pratim K Chattaraj

Flexibility Induced Encapsulation of Ultrafine Palladium Nanoparticles into Organic Cages for Tsuji-Trost Allylation.

ACS applied materials & interfaces

Avec: Vivekanand Sharma , Dinesh De , Ranajit Saha , Pratim Kumar Chattaraj , Parimal K Bharadwaj

Modified Particle Swarm Optimization Algorithms for the Generation of Stable Structures of Carbon Clusters, C

Frontiers in chemistry

Avec: Gourhari Jana , Arka Mitra , Sudip Pan , Shamik Sural , Pratim K Chattaraj

Comparison Between Electride Characteristics of Li

Frontiers in chemistry

Avec: Prasenjit Das , Pratim Kumar Chattaraj

Intriguing structural, bonding and reactivity features in some beryllium containing complexes.

Physical chemistry chemical physics : PCCP

Avec: Sudip Pan , Gourhari Jana , Ranajit Saha , Lili Zhao , Pratim K Chattaraj

Substituent Effects on Electride Characteristics of Mg

The journal of physical chemistry. A

Avec: Prasenjit Das , Pratim Kumar Chattaraj

Molecular Electrides: An In Silico Perspective.

Chemphyschem : a European journal of chemical physics and physical chemistry

Avec: Ranajit Saha , Prasenjit Das , Pratim Kumar Chattaraj

Quantitative Structure-Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective.

Pharmaceuticals (Basel, Switzerland)

Avec: Ranita Pal , Shanti Gopal Patra , 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)

Avec: Navya Arepalli , Sukanta Mondal , Debdutta Chakraborty , 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

Avec: Sukanta Mondal , Gourhari Jana , Hemant K Srivastava , Garikapati N Sastry , Pratim Kumar Chattaraj

Filling the void: controlled donor-acceptor interaction facilitates the formation of an M-M single bond in the zero oxidation state of M (M = Zn, Cd, Hg).

Dalton transactions (Cambridge, England : 2003)

Avec: Ranajit Saha , Sudip Pan , Pratim K Chattaraj , Gabriel Merino

Noble Gas Binding Ability of an Au(I) Cation Stabilized by a Frustrated Lewis Pair: A DFT Study.

Frontiers in chemistry

Avec: Manas Ghara , 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

Avec: Manas Ghara , Sudip Pan , Pratim K Chattaraj

Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure-toxicity relationship.

Chemical biology & drug design

Avec: Ranita Pal , Gourhari Jana , Shamik Sural , Pratim Kumar Chattaraj

Atomic Clusters: Structure, Reactivity, Bonding, and Dynamics.

Frontiers in chemistry

Avec: Ranita Pal , Arpita Poddar , Pratim Kumar Chattaraj

CO

Journal of computational chemistry

Avec: Himangshu Mondal , Pratim Kumar Chattaraj

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.

Physical chemistry chemical physics : PCCP

Avec: Andrew M 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 , Laura Gagliardi , Giulia Galli , Jiali Gao , Paul Geerlings , Nikitas Gidopoulos , Peter M W Gill , Paola Gori-Giorgi , Andreas Görling , Tim Gould , Stefan Grimme , Oleg 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 Tellgren , David J Tozer , Samuel B Trickey , Carsten A Ullrich , Alberto Vela , Giovanni Vignale , Tomasz A Wesolowski , Xin Xu , Weitao Yang

On the Nature of the Partial Covalent Bond between Noble Gas Elements and Noble Metal Atoms.

Molecules (Basel, Switzerland)

Avec: Ranita Pal , Pratim Kumar Chattaraj

Frustrated Lewis pair-mediated hydro-dehalogenation: crucial role of non-covalent interactions.

Journal of molecular modeling

Avec: Himangshu Mondal , Pratim Kumar Chattaraj

Réseau de co-auteurs

Pratim K Chattaraj 12 collaborations

Ranajit Saha 8 collaborations

Gourhari Jana 7 collaborations

Prasenjit Das 7 collaborations

Sudip Pan 6 collaborations

Ranita Pal 6 collaborations

Chunying Rong 5 collaborations

Shubin Liu 5 collaborations

Xin He 4 collaborations

Manas Ghara 4 collaborations

Dongbo Zhao 3 collaborations

Meng Li 3 collaborations

Chunna Guo 3 collaborations

Debdutta Chakraborty 3 collaborations

Himangshu Mondal 3 collaborations

Gabriel Merino 2 collaborations

Bin Wang 2 collaborations

Dinesh De 2 collaborations

Parimal K Bharadwaj 2 collaborations

Shamik Sural 2 collaborations

Sukanta Mondal 2 collaborations

Suman Mandal 1 collaboration

Ajoy Mandal 1 collaboration

Samik Mallik 1 collaboration

Satyajit Roy 1 collaboration

Arnab Ghosh 1 collaboration

Dipak K Goswami 1 collaboration

Shujing Zhong 1 collaboration

Xinjie Wan 1 collaboration

Utpal Sarkar 1 collaboration

Jingyi Wu 1 collaboration

Donghai Yu 1 collaboration

Siyuan Liu 1 collaboration

Aiguo Zhong 1 collaboration

Mayank Gupta 1 collaboration

Nabanita Chatterjee 1 collaboration

Clive L Oliver 1 collaboration

Santanab Giri 1 collaboration

Santanu Chand 1 collaboration

Arun Pal 1 collaboration

Rupam Sahoo 1 collaboration

Madhab C Das 1 collaboration

Tian Lu 1 collaboration

Maya Khatun 1 collaboration

Anakuthil Anoop 1 collaboration

Vivekanand Sharma 1 collaboration

Arka Mitra 1 collaboration

Lili Zhao 1 collaboration

Shanti Gopal Patra 1 collaboration

Navya Arepalli 1 collaboration

Hemant K Srivastava 1 collaboration

Garikapati N Sastry 1 collaboration

Arpita Poddar 1 collaboration

Andrew M Teale 1 collaboration

Trygve Helgaker 1 collaboration

Andreas Savin 1 collaboration

Carlo Adamo 1 collaboration

Bálint Aradi 1 collaboration

Alexei V Arbuznikov 1 collaboration

Paul W Ayers 1 collaboration

Evert Jan Baerends 1 collaboration

Vincenzo Barone 1 collaboration

Patrizia Calaminici 1 collaboration

Eric Cancès 1 collaboration

Emily A Carter 1 collaboration

Henry Chermette 1 collaboration

Ilaria Ciofini 1 collaboration

T Daniel Crawford 1 collaboration

Frank De Proft 1 collaboration

John F Dobson 1 collaboration

Claudia Draxl 1 collaboration

Thomas Frauenheim 1 collaboration

Emmanuel Fromager 1 collaboration

Patricio Fuentealba 1 collaboration

Laura Gagliardi 1 collaboration

Giulia Galli 1 collaboration

Jiali Gao 1 collaboration

Paul Geerlings 1 collaboration

Nikitas Gidopoulos 1 collaboration

Peter M W Gill 1 collaboration

Paola Gori-Giorgi 1 collaboration

Andreas Görling 1 collaboration

Tim Gould 1 collaboration

Stefan Grimme 1 collaboration

Oleg Gritsenko 1 collaboration

Hans Jørgen Aagaard Jensen 1 collaboration

Erin R Johnson 1 collaboration

Robert O Jones 1 collaboration

Martin Kaupp 1 collaboration

Andreas M Köster 1 collaboration

Leeor Kronik 1 collaboration

Anna I Krylov 1 collaboration

Simen Kvaal 1 collaboration

Andre Laestadius 1 collaboration

Mel Levy 1 collaboration

Mathieu Lewin 1 collaboration

Pierre-François Loos 1 collaboration

Neepa T Maitra 1 collaboration

Frank Neese 1 collaboration

John P Perdew 1 collaboration

Katarzyna Pernal 1 collaboration

Pascal Pernot 1 collaboration

Piotr Piecuch 1 collaboration

Elisa Rebolini 1 collaboration

Lucia Reining 1 collaboration

Pina Romaniello 1 collaboration

Adrienn Ruzsinszky 1 collaboration

Dennis R Salahub 1 collaboration

Matthias Scheffler 1 collaboration

Peter Schwerdtfeger 1 collaboration

Viktor N Staroverov 1 collaboration

Jianwei Sun 1 collaboration

Erik Tellgren 1 collaboration

David J Tozer 1 collaboration

Samuel B Trickey 1 collaboration

Carsten A Ullrich 1 collaboration

Alberto Vela 1 collaboration

Giovanni Vignale 1 collaboration

Tomasz A Wesolowski 1 collaboration

Xin Xu 1 collaboration

Weitao Yang 1 collaboration