Noble gas encapsulated B 40 cage S Pan, M Ghara, S Kar, X Zarate, G Merino, PK Chattaraj Physical Chemistry Chemical Physics 20 (3), 1953-1963, 2018 | 46 | 2018 |
A computational study on structure, stability and bonding in Noble Gas bound metal Nitrates, Sulfates and Carbonates (Metal= Cu, Ag, Au) M Ghara, S Pan, J Deb, A Kumar, U Sarkar, PK Chattaraj Journal of Chemical Sciences 128, 1537-1548, 2016 | 31 | 2016 |
A computational study on hydrogenation of CO2, catalyzed by a bridged B/N frustrated Lewis pair M Ghara, PK Chattaraj Structural Chemistry 30, 1067-1077, 2019 | 28 | 2019 |
A theoretical investigation on boron–ligand cooperation to activate molecular hydrogen by a frustrated Lewis pair and subsequent reduction of carbon dioxide M Ghara, S Pan, PK Chattaraj Physical Chemistry Chemical Physics 21 (38), 21267-21277, 2019 | 28 | 2019 |
Activation of Small Molecules and Hydrogenation of CO2 Catalyzed by Frustrated Lewis Pairs R Pal, M Ghara, PK Chattaraj Catalysts 12 (2), 201, 2022 | 22 | 2022 |
Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study M Ghara, S Giri, PK Chattaraj The Journal of Physical Chemistry A 124 (22), 4455-4462, 2020 | 22 | 2020 |
Noble gas bound beryllium chromate and beryllium hydrogen phosphate: a comparison with noble gas bound beryllium oxide S Pan, M Ghara, S Ghosh, PK Chattaraj RSC advances 6 (95), 92786-92794, 2016 | 21 | 2016 |
A computational investigation of the activation of allene (H2C= C= CHR; R= H, CH3, CN) by a frustrated phosphorous/boron Lewis pair H Mondal, M Ghara, PK Chattaraj Chemical Physics Letters 774, 138623, 2021 | 20 | 2021 |
Fixation of nitrous oxide (N2O) by 1, 4, 2, 5‐diazadiborinine: A DFT study M Ghara, PK Chattaraj International Journal of Quantum Chemistry 118 (14), e25593, 2018 | 15 | 2018 |
Structure, stability, and nature of bonding in carbon monoxide bound complexes (E= group 14 element; X= H, F, Cl, Br, I) M Ghara, S Pan, A Kumar, G Merino, PK Chattaraj Journal of Computational Chemistry 37 (24), 2202-2211, 2016 | 13 | 2016 |
Frustrated Lewis pairs: bonding, reactivity, and applications M Ghara, H Mondal, R Pal, PK Chattaraj The Journal of Physical Chemistry A 127 (21), 4561-4582, 2023 | 12 | 2023 |
Can a decrease in anti-aromaticity increase the dihydrogen activation ability of a frustrated phosphorous/borane Lewis pair?: a DFT study M Ghara, PK Chattaraj Theoretical Chemistry Accounts 139, 1-8, 2020 | 11 | 2020 |
Possible C-F bond activation by B(C6F5)3/lutidine and Al(C6F5)3/lutidine frustrated Lewis pair: an in silico study M Ghara, S Giri, P Das, PK Chattaraj Journal of Chemical Sciences 134 (1), 14, 2022 | 10 | 2022 |
Hydrogen trapping potential of (HF) m (m= 1–8) and (H2O) n (n= 1–10) clusters S Mondal, M Ghara, PK Chattaraj Computational and Theoretical Chemistry 1071, 18-26, 2015 | 10 | 2015 |
Confinement induced catalytic activity in a Diels-Alder reaction: comparison among various CB[n], n = 6–8, cavitands M Ghara, D Chakraborty, PK Chattaraj Journal of Molecular Modeling 24, 1-7, 2018 | 7 | 2018 |
A DFT study on trapping of nitric oxide by 1, 3, 2, 5-diazadiborinine, a frustrated Lewis pair M Ghara, PK Chattaraj J. Indian Chem. Soc 95, 1019, 2018 | 7 | 2018 |
Donor–Acceptor vs Electron-Shared Bonding: Triatomic SinC3–n (n ≤ 3) Clusters Stabilized by Cyclic Alkyl(amino) Carbene M Ghara, S Pan, PK Chattaraj The Journal of Physical Chemistry A 123 (50), 10764-10771, 2019 | 6 | 2019 |
Noble Gas Binding Ability of an Au (I) Cation Stabilized by a Frustrated Lewis Pair: A DFT Study M Ghara, PK Chattaraj Frontiers in Chemistry 8, 616, 2020 | 4 | 2020 |
Bonding and Reactivity in RB-AsR Systems (R= H, F, OH, CH3, CMe3, CF3, SiF3, BO): Substituent Effects M Ghara, PK Chattaraj, G Manas, KC Pratim 物理化学学报 34 (2), 201-207, 2017 | 2 | 2017 |
Exohedral complexation of B39-with ECp∗+ half-sandwich complexes (ESi, Ge, Sn, Pb): A DFT study A Majumder, M Ghara, PK Chattaraj Computational and Theoretical Chemistry 1140, 49-55, 2018 | 1 | 2018 |