Arun K. Pal
Arun K. Pal
Research Associate, School of Chemical Sciences, IACS Kolkata
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Cited by
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Ferromagnetic Nature of Silicon-Substituted Meta-Xylylene Polyradicals
S Hansda, AK Pal, SN Datta
The Journal of Physical Chemistry C 119 (7), 3754-3761, 2015
Origin of intense luminescence from supramolecular 2D molecular crystals
S Biswas, G Manna, B Das, A Bhattacharya, AK Pal, A Datta, P Alam, ...
Small 17 (51), 2103212, 2021
Geometrical structure of meta-xylylene based symmetric polyradicals and their magnetic nature: A density functional study
AK Pal, A Kumar, SN Datta
Chemical Physics Letters 648, 189-194, 2016
Understanding the Regioselectivity of Ion-Pair-Assisted Meta-Selective C(sp2)–H Activation in Conformationally Flexible Arylammonium Salts
P Mondal, R Pal, AK Pal, S Das, A Misra, A Datta
The Journal of Organic Chemistry 87 (14), 9222-9231, 2022
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