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Arun K. Pal
Arun K. Pal
Research Associate, School of Chemical Sciences, IACS Kolkata
Verified email at iacs.res.in
Title
Cited by
Cited by
Year
The Triplet–Singlet Gap in the m-Xylylene Radical: A Not So Simple One
D Reta Mañeru, AK Pal, IPR Moreira, SN Datta, F Illas
Journal of Chemical Theory and Computation 10 (1), 335-345, 2014
692014
On the photomagnetism of nitronyl nitroxide, imino nitroxide, and verdazyl-substituted azobenzene
SN Datta, AK Pal, S Hansda, IA Latif
The Journal of Physical Chemistry A 116 (12), 3304-3311, 2012
262012
Autonomous self-healing organic crystals for nonlinear optics
S Mondal, P Tanari, S Roy, S Bhunia, R Chowdhury, AK Pal, A Datta, ...
Nature Communications 14 (1), 6589, 2023
242023
Transition-State-like Planar Structures for Amine Inversion with Ultralong C–C Bonds in Diamino-o-carborane and Diamino-o-dodecahedron
N Mandal, AK Pal, P Gain, A Zohaib, A Datta
Journal of the American Chemical Society 142 (11), 5331-5337, 2020
242020
Calculation of linear and nonlinear optical properties of azobenzene derivatives with Kohn–Sham and coupled-cluster methods
AK Pal, TJ Duignan, J Autschbach
Physical Chemistry Chemical Physics 20 (10), 7303-7316, 2018
242018
Theoretical investigation of stilbene as photochromic spin coupler
AK Pal, S Hansda, SN Datta, F Illas
The Journal of Physical Chemistry A 117 (8), 1773-1783, 2013
232013
Polymorphism dependent 9-phosphoanthracene derivative exhibiting thermally activated delayed fluorescence: A computational investigation
AK Pal, K Bhattacharyya, A Datta
The Journal of Physical Chemistry A 124 (52), 11025-11037, 2020
192020
Electrocatalytic Reduction of Nitrogen to Ammonia Using Tiara‐like Phenylethanethiolated Nickel Cluster
MP Maman, T Gurusamy, AK Pal, R Jana, K Ramanujam, A Datta, ...
Angewandte Chemie 135 (27), e202305462, 2023
152023
Small Nonplanar Phenothiazine‐5‐oxide‐Based Molecules: Structural Characterization, Photophysical, Thermal and Computational Studies
S Bishnoi, MD Milton, TK Paul, AK Pal, S Taraphder
ChemistrySelect 2 (10), 3084-3092, 2017
152017
A highly contorted push–pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission
D Bansal, A Kundu, VP Singh, AK Pal, A Datta, J Dasgupta, ...
Chemical Science 13 (39), 11506-11512, 2022
142022
Theoretical and computational investigation of meta-phenylene as ferromagnetic coupler in nitronyl nitroxide diradicals
AK Pal, DR Mañeru, IA Latif, IPR Moreira, F Illas, SN Datta
Theoretical Chemistry Accounts 133, 1-12, 2014
142014
Tuning of the optoelectronic properties of peptide-appended core-substituted naphthalenediimides: the role of self-assembly of two positional isomers
K Gayen, S Hazra, AK Pal, S Paul, A Datta, A Banerjee
Soft Matter 17 (30), 7168-7176, 2021
132021
Ferrocene-based diradicals of imino nitroxide, nitronyl nitroxide and verdazyl, and their cations are possible SMM: A quantum chemical study
AK Pal, SN Datta
Chemical Physics Letters 676, 70-76, 2017
112017
Modulation of Delayed Fluorescence Guided by Conformational Effect-Mediated Thermally Enhanced Phosphorescence in Phenothiazines–Quinoline–Cl Conjugates
S Dey, AK Pal, M Upadhyay, A Datta, D Ray
The Journal of Physical Chemistry B 127 (45), 9833-9840, 2023
102023
Quantum Chemical Investigation of Calix [4] arene-Based Radicals with Bis (biphenylene) methyl Linkers as Precursors of Spin Glass and Superparamagnets
AK Pal, SN Datta
The Journal of Physical Chemistry C 118 (47), 27599-27610, 2014
102014
Remote functionalization through symmetric or asymmetric substitutions control the pathway of intermolecular singlet fission
AK Pal, K Bhattacharyya, A Datta
Journal of Chemical Theory and Computation 15 (9), 5014-5023, 2019
92019
Theoretical investigation of photomagnetic properties of oxoverdazyl-substituted pyrenes
T Sadhukhan, S Hansda, AK Pal, GV Venkatakrishna, IA Latif, SN Datta
The Journal of Physical Chemistry A 117 (36), 8609-8622, 2013
92013
Design of magnetic organic molecules and organic magnets: Experiment, theory and computation with application and recent advances
SN Datta, AK Pal, A Panda
Chemical Physics Impact 7, 100379, 2023
82023
Harnessing noncovalent interactions for a directed evolution of a six-component molecular crystal
S Mandal, AK Pal, N Mandal, TK Mukhopadhyay, A Datta
The Journal of Physical Chemistry B 125 (45), 12584-12591, 2021
82021
Quantum Chemical Investigation of meta-Xylylene Based One-Dimensional Polymer Chain
AK Pal, S Hansda, SN Datta
The Journal of Physical Chemistry A 119 (10), 2176-2185, 2015
82015
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