Author

Tapta Kanchan Roy

Observed names: Roy, Tapta Kanchan, T.K. Roy, TAPTA KANCHAN ROY

Observed institutions: University of Delhi, Hebrew University of Jerusalem, Fritz Haber Institute of the Max Planck Society, University of Hyderabad, Central University of Jammu, Central University of Kashmir, Central University of Rajasthan, Ruhr University Bochum, University of Rajasthan

ORCID: 0000-0003-2757-1711

Observed ORCID: 0000-0003-2757-1711

OpenAlex ID: A5036950027

MOF‐FF – A flexible first‐principles derived force field for metal‐organic frameworks

2013 · Sareeya Bureekaew, Saeed Amirjalayer, et al. · physica status solidi (b) · 208

Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications

2013 · Tapta Kanchan Roy, R. Benny Gerber · Physical Chemistry Chemical Physics · 194

Terminal functionalized hydroxyl‐terminated polybutadiene: An energetic binder for propellant

2009 · Rajavelu Murali Shankar, Tapta Kanchan Roy, et al. · Journal of Applied Polymer Science · 85

Ruthenium Catalyzed Intramolecular C–S Coupling Reactions: Synthetic Scope and Mechanistic Insight

2016 · Shivani Sharma, Ramdas S. Pathare, et al. · Organic Letters · 82

Comprehensive Benchmark Results for the Accuracy of Basis Sets for Anharmonic Molecular Vibrations

2020 · Hrishit Mitra, Tapta Kanchan Roy · The Journal of Physical Chemistry A · 50

Design, synthesis, characterization and evaluation of the anticancer activity of water-soluble half-sandwich ruthenium( ii ) arene halido complexes

2019 · Tanveer A. Khan, Kishalay Bhar, et al. · New Journal of Chemistry · 50

Approximate First-Principles Anharmonic Calculations of Polyatomic Spectra Using MP2 and B3LYP Potentials: Comparisons with Experiment

2014 · Tapta Kanchan Roy, Tucker Carrington, et al. · The Journal of Physical Chemistry A · 44

First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments

2015 · Tapta Kanchan Roy, Rahul Sharma, et al. · Physical Chemistry Chemical Physics · 43

Hypochlorite-promoted inhibition of photo-induced electron transfer in phenothiazine–borondipyrromethene donor–acceptor dyad: a cost-effective and metal-free “turn-on” fluorescent chemosensor for hypochlorite

2017 · Disha Soni, Suneel Gangada, et al. · New Journal of Chemistry · 41

Azo-dyes based small bifunctional molecules for metal chelation and controlling amyloid formation

2017 · Monika Rana, Hong-Jun Cho, et al. · Inorganica Chimica Acta · 40

Conformational Structures of a Decapeptide Validated by First Principles Calculations and Cold Ion Spectroscopy

2015 · Tapta Kanchan Roy, Vladimir Kopysov, et al. · ChemPhysChem · 40

Catalyst-Controlled Structural Divergence: Selective Intramolecular 7-endo-dig and 6-exo-dig Post-Ugi Cyclization for the Synthesis of Benzoxazepinones and Benzoxazinones

2017 · Karandeep Singh, Bhanwar Kumar Malviya, et al. · The Journal of Organic Chemistry · 39

A catalyst-free, one-pot multicomponent synthesis of spiro-benzimidazoquinazolinones via a Knoevenagel–Michael-imine pathway: a microwave assisted approach

2016 · Preeti Maloo, Tapta Kanchan Roy, et al. · RSC Advances · 39

Hypochlorite‐Mediated Modulation of Photoinduced Electron Transfer in a Phenothiazine–Boron dipyrromethene Electron Donor–Acceptor Dyad: A Highly Water Soluble “Turn‐On” Fluorescent Probe for Hypochlorite

2018 · Disha Soni, Naresh Duvva, et al. · Chemistry - An Asian Journal · 38

Functionalization of terminal carbon atoms of hydroxyl terminated polybutadiene by polyazido nitrogen rich molecules

2011 · Rajavelu Murali Sankar, Tapta Kanchan Roy, et al. · Bulletin of Materials Science · 38

Rhodium(III)‐Catalyzed Annulation of 2‐Arylimidazo[1,2‐ a ]pyridines with Maleimides: Synthesis of 1 H ‐Benzo[ e ]pyrido[1′,2′:1,2]imidazo[4,5‐ g ]isoindole‐1,3(2 H )‐Diones and their Photophysical Studies

2020 · Vikki N. Shinde, Tapta Kanchan Roy, et al. · Advanced Synthesis & Catalysis · 35

Synthesis of Diverse Nitrogen Heterocycles via Palladium‐Catalyzed Tandem Azide–Isocyanide Cross‐Coupling/Cyclization: Mechanistic Insight using Experimental and Theoretical Studies

2017 · Arshad J. Ansari, Ramdas S. Pathare, et al. · Advanced Synthesis & Catalysis · 34

Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy

2018 · Tapta Kanchan Roy, Vladimir Kopysov, et al. · Physical Chemistry Chemical Physics · 31

On some strategies to design new high energy density molecules

2008 · T. Mondal, B. Saritha, et al. · Journal of Molecular Structure THEOCHEM · 31

Effective harmonic oscillator description of anharmonic molecular vibrations

2009 · Tapta Kanchan Roy, M. Durga Prasad · Journal of Chemical Sciences · 30

Sulfonated Polybenzimidazole as a PEM in a Microbial Fuel Cell: An Efficient Strategy for Green Energy Generation and Wastewater Cleaning

2023 · Suchismita Subhadarshini, J. Shanthi Sravan, et al. · ACS Applied Energy Materials · 29

A thermal self-consistent field theory for the calculation of molecular vibrational partition functions

2009 · Tapta Kanchan Roy, M. Durga Prasad · The Journal of Chemical Physics · 26

Phosphine‐Free Bis(Pyrrolyl)pyridine Based NNN‐Pincer Palladium(II) Complexes as Efficient Catalysts for Suzuki‐Miyaura Cross‐Coupling Reactions of Aryl Bromides in Aqueous Medium

2018 · Seema Yadav, Ajeet Singh, et al. · ChemistrySelect · 22

A Decapeptide Hydrated by Two Waters: Conformers Determined by Theory and Validated by Cold Ion Spectroscopy

2017 · Tapta Kanchan Roy, Natalia S. Nagornova, et al. · The Journal of Physical Chemistry A · 21

Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Microsolvated Biomolecules

2020 · Tapta Kanchan Roy, R. Benny Gerber · Journal of Chemical Theory and Computation · 19

Works count: 75

Citation count: 1,492

H-index: 22

I10-index: 34