Product
Help
Pricing
About
Jobs
Log in
Get started
Author
Add to collection
Rahul Kar
Observed names:
Kar Rahul,
Kar, Rahul,
RAHUL KAR
Institution:
Dibrugarh University
Observed institutions:
Bhabha Atomic Research Centre,
National Chemical Laboratory,
RIKEN,
RIKEN Center for Computational Science,
Dibrugarh University,
Savitribai Phule Pune University
show all 6
ORCID:
0000-0002-1629-5689
Observed ORCID:
0000-0002-1629-5689
OpenAlex ID:
A5083893289
Blind test of density-functional-based methods on intermolecular interaction energies
2016
·
DeCarlos E. Taylor
, János G. Ángyán
, et al.
·
The Journal of Chemical Physics
·
123
Long‐range corrected functionals satisfy Koopmans' theorem: Calculation of correlation and relaxation energies
2013
·
Rahul Kar
, Jong‐Won Song
, et al.
·
Journal of Computational Chemistry
·
78
An immobilized symmetrical bis-(NHC) palladium complex as a highly efficient and recyclable Suzuki–Miyaura catalyst in aerobic aqueous media
2016
·
Tahshina Begum
, Manoj Mondal
, et al.
·
Dalton Transactions
·
60
The Influence of Electric Field on the Global and Local Reactivity Descriptors: Reactivity and Stability of Weakly Bonded Complexes
2006
·
Rahul Kar
, K. R. S. Chandrakumar
, et al.
·
The Journal of Physical Chemistry A
·
52
Biosynthesis of Ag nanoparticles using pedicellamide and its photocatalytic activity: An eco-friendly approach
2014
·
Chandan Tamuly
, Moushumi Hazarika
, et al.
·
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
·
47
A Theoretical Study on the Antioxidant Property of Gallic Acid and Its Derivatives
2012
·
DIPIKA KALITA
, RAHUL KAR
, et al.
·
Journal of Theoretical and Computational Chemistry
·
42
Effect of solvents having different dielectric constants on reactivity: A conceptual DFT approach
2009
·
Rahul Kar
, Sourav Pal
·
International Journal of Quantum Chemistry
·
42
Experimental and theoretical study of urea and thiourea based new colorimetric chemosensor for fluoride and acetate ions
2015
·
Eramoni Saikia
, Manash Protim Borpuzari
, et al.
·
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
·
40
Palladium‐on‐Carbon‐Catalyzed Coupling of Nitroarenes with Phenol: Biaryl Ether Synthesis and Evidence of an Oxidative‐Addition‐Promoted Mechanism
2017
·
Tahshina Begum
, Manoj Mondal
, et al.
·
European Journal of Organic Chemistry
·
34
Revisiting the hydrogen atom transfer reactions through a simple and accurate theoretical model: Role of hydrogen bond energy in polyphenolic antioxidants
2023
·
Rakiba Rohman
, Raktim Nath
, et al.
·
Computational and Theoretical Chemistry
·
28
Accurate Prediction of HOMO – LUMO Gap Using DFT Functional and Application to Next‐Generation Organic Telluro[n]Helicenes Materials
2025
·
Rahul Kumar
, Rahul Kar
, et al.
·
Journal of Computational Chemistry
·
24
PDF
A new nonempirical tuning scheme with single self‐consistent field calculation: Comparison with global and IP‐tuned range‐separated functional
2017
·
Manash Protim Borpuzari
, Rahul Kar
·
Journal of Computational Chemistry
·
24
Effect of external electric field on aziridinium ion intermediate: A DFT study
2011
·
Babul Neog
, Nabajit Sarmah
, et al.
·
Computational and Theoretical Chemistry
·
24
Assessment of range-separated functionals in the presence of implicit solvent: Computation of oxidation energy, reduction energy, and orbital energy
2017
·
Abhijit Boruah
, Manash Protim Borpuzari
, et al.
·
The Journal of Chemical Physics
·
20
Electric field response of molecular reactivity descriptors: a case study
2008
·
Rahul Kar
, Sourav Pal
·
Theoretical Chemistry Accounts
·
20
Intercluster Reactivity of Metalloaromatic and Antiaromatic Compounds and Their Applications in Molecular Electronics: A Theoretical Investigation
2005
·
Sharan Shetty
, Rahul Kar
, et al.
·
The Journal of Physical Chemistry A
·
18
PDF
Does structural variation in the aziridinium ion facilitate alkylation?
2011
·
Pradip Kr. Bhattacharyya
, Rahul Kar
·
Computational and Theoretical Chemistry
·
17
Antioxidant properties can be tuned in the presence of an external electric field: accurate computation of O–H BDE with range-separated density functionals
2015
·
Manash Protim Borpuzari
, Rakiba Rohman
, et al.
·
RSC Advances
·
15
Intercalation vs Adsorption Strategies of Myo-Inositol Hexakisphosphate into Zn–Fe Layered Double Hydroxide: A Tiff between Anion Exchange and Coprecipitation
2023
·
Rimjim Gogoi
, Madhusmita Baruah
, et al.
·
ACS Omega
·
14
PDF
A new air-stable Pd-PEPPSI N-heterocyclic carbene complex: Synthesis, structure, computational and catalytical studies
2023
·
Bibekananda Gogoi
, Sangeeta Khargharia
, et al.
·
Journal of Molecular Structure
·
13
Performance of Range Separated Density Functional in Solvent Continuum: Tuning Long‐range Hartree–Fock Exchange for Improved Orbital Energies
2019
·
Abhijit Boruah
, Manash Protim Borpuzari
, et al.
·
Journal of Computational Chemistry
·
12
Structural, electronic and reactivity studies on group 15 analogues of N-heterocyclic carbene
2015
·
Manash Protim Borpuzari
, Ankur Kanti Guha
, et al.
·
Structural Chemistry
·
11
How does the presence of an oxyradical influence the behavior of polyphenolic antioxidant? A case study on gallic acid
2018
·
Rakiba Rohman
, Rahul Kar
·
Journal of Molecular Modeling
·
10
Development of Solution‐ and Film‐Based Economical Sensors for Reversible Sensing of Fluoride and Cyanide Ions
2022
·
Arobinda Kakoti
, Rakiba Rohman
, et al.
·
ChemistrySelect
·
9
Ionisation potential theorem in the presence of the electric field: Assessment of range-separated functional in the reproduction of orbital and excitation energies
2016
·
Manash Protim Borpuzari
, Abhijit Boruah
, et al.
·
The Journal of Chemical Physics
·
9
Show more works
View as search
Works count:
42
Citation count:
855
H-index:
17
I10-index:
23
Year
Topic
Type
