Density functional theory based study of magnetic interaction in bis-oxoverdazyl diradicals connected by different aromatic couplers D Bhattacharya, A Misra The Journal of Physical Chemistry A 113 (18), 5470-5475, 2009 | 75 | 2009 |
Role of electron-donating and electron-withdrawing groups in tuning the optoelectronic properties of difluoroboron–napthyridine analogues T Sutradhar, A Misra The Journal of Physical Chemistry A 122 (16), 4111-4120, 2018 | 72 | 2018 |
Probing the effects of ligand field and coordination geometry on magnetic anisotropy of pentacoordinate Cobalt (II) single-ion magnets AK Mondal, T Goswami, A Misra, S Konar Inorganic Chemistry 56 (12), 6870-6878, 2017 | 68 | 2017 |
A high-spin organic diradical as a spin filter S Shil, D Bhattacharya, A Misra, DJ Klein Physical Chemistry Chemical Physics 17 (36), 23378-23383, 2015 | 50 | 2015 |
Intramolecular ferromagnetic coupling in bis-oxoverdazyl and bis-thioxoverdazyl diradicals with polyacene spacers D Bhattacharya, S Shil, A Misra, DJ Klein Theoretical Chemistry Accounts 127, 57-67, 2010 | 50 | 2010 |
Performance of the widely used Minnesota density functionals for the prediction of heat of formations, ionization potentials of some benchmarked first row transition metal … S Shil, D Bhattacharya, S Sarkar, A Misra The Journal of Physical Chemistry A 117 (23), 4945-4955, 2013 | 46 | 2013 |
Clar theory for molecular benzenoids A Misra, DJ Klein, T Morikawa The Journal of Physical Chemistry A 113 (6), 1151-1158, 2009 | 45 | 2009 |
Photoinduced antiferromagnetic to ferromagnetic crossover in organic systems S Shil, A Misra The Journal of Physical Chemistry A 114 (4), 2022-2027, 2010 | 43 | 2010 |
Ligand effects toward the modulation of magnetic anisotropy and design of magnetic systems with desired anisotropy characteristics T Goswami, A Misra The Journal of Physical Chemistry A 116 (21), 5207-5215, 2012 | 38 | 2012 |
A DFT study on the magnetostructural property of ferromagnetic heteroverdazyl diradicals with phenylene coupler D Bhattacharya, S Shil, A Panda, A Misra The Journal of Physical Chemistry A 114 (43), 11833-11841, 2010 | 37 | 2010 |
Clar theory extended for polyacenes and beyond D Bhattacharya, A Panda, A Misra, DJ Klein The Journal of Physical Chemistry A 118 (24), 4325-4338, 2014 | 32 | 2014 |
A Perspective on Designing Chiral Organic Magnetic Molecules with Unusual Behavior in Magnetic Exchange Coupling P Sarbadhikary, S Shil, A Panda, A Misra The Journal of Organic Chemistry 81 (13), 5623-5630, 2016 | 29 | 2016 |
Interpretation and quantification of magnetic interaction through spin topology S Paul, A Misra Journal of Chemical Theory and Computation 8 (3), 843-853, 2012 | 29 | 2012 |
Role of the coupler to design organic magnetic molecules: LUMO plays an important role in magnetic exchange S Shil, M Roy, A Misra RSC advances 5 (128), 105574-105582, 2015 | 27 | 2015 |
Enhancement of Nonlinear Optical Properties of Indole Based Dyes through Electron Acceptor and π‐Linker for Dye‐Sensitized Solar Cell Applications T Sutradhar, A Misra ChemistrySelect 4 (13), 3697-3705, 2019 | 26 | 2019 |
Interplay among Aromaticity, Magnetism, and Nonlinear Optical Response in All-Metal Aromatic Systems S Paul, A Misra Inorganic Chemistry 50 (8), 3234-3246, 2011 | 26 | 2011 |
Clar theory for radical benzenoids A Misra, TG Schmalz, DJ Klein Journal of chemical information and modeling 49 (12), 2670-2676, 2009 | 26 | 2009 |
The impact of surface structure and band gap on the optoelectronic properties of Cu 2 O nanoclusters of varying size and symmetry B Sinha, T Goswami, S Paul, A Misra RSC Advances 4 (10), 5092-5104, 2014 | 25 | 2014 |
Minimally Kekulenoid π-networks and reactivity for acyclics DJ Klein, A Misra Croatica chemica acta 77 (1-2), 179-191, 2004 | 21 | 2004 |
Photoresponsive magnetization reversal in green fluorescent protein chromophore based diradicals D Bhattacharya, S Shil, A Misra Journal of Photochemistry and Photobiology A: Chemistry 217 (2-3), 402-410, 2011 | 20 | 2011 |