Items where Author is "Ghara, Manas"

Article

Pal, Ranita ; Ghara, Manas ; Chattaraj, Pratim Kumar (2022) Activation of Small Molecules and Hydrogenation of CO2 Catalyzed by Frustrated Lewis Pairs Catalysts, 12 (2). p. 201. ISSN 2073-4344

Ghara, Manas ; Giri, Santanab ; Das, Prasenjit ; Chattaraj, Pratim Kumar (2022) Possible C-F bond activation by B(C6F5)3/lutidine and Al(C6F5)3/lutidine frustrated Lewis pair: an in silico study Journal of Chemical Sciences, 134 (1). ISSN 0974-3626

Mondal, Himangshu ; Ghara, Manas ; Chattaraj, Pratim Kumar (2021) A computational investigation of the activation of allene (H2C = C = CHR; R = H, CH3, CN) by a frustrated phosphorous/boron Lewis pair Chemical Physics Letters, 774 . p. 138623. ISSN 00092614

Ghara, Manas ; Chattaraj, Pratim Kumar (2020) Can a decrease in anti-aromaticity increase the dihydrogen activation ability of a frustrated phosphorous/borane Lewis pair?: a DFT study Theoretical Chemistry Accounts, 139 (12). ISSN 1432-881X

Ghara, Manas ; Giri, Santanab ; Chattaraj, Pratim Kumar (2020) Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study The Journal of Physical Chemistry A, 124 (22). pp. 4455-4462. ISSN 1089-5639

Ghara, Manas ; Chattaraj, Pratim Kumar (2020) Noble Gas Binding Ability of an Au(I) Cation Stabilized by a Frustrated Lewis Pair: A DFT Study Frontiers in Chemistry, 8 . ISSN 2296-2646

Ghara, Manas ; Pan, Sudip ; Chattaraj, Pratim K. (2019) Donor–Acceptor vs Electron-Shared Bonding: Triatomic SinC3–n (n ≤ 3) Clusters Stabilized by Cyclic Alkyl(amino) Carbene The Journal of Physical Chemistry A, 123 (50). pp. 10764-10771. ISSN 1089-5639

Ghara, Manas ; Chattaraj, Pratim K. (2019) A computational study on hydrogenation of CO2, catalyzed by a bridged B/N frustrated Lewis pair Structural Chemistry, 30 (3). pp. 1067-1077. ISSN 1040-0400

Ghara, Manas ; Pan, Sudip ; Chattaraj, Pratim K. (2019) A theoretical investigation on boron–ligand cooperation to activate molecular hydrogen by a frustrated Lewis pair and subsequent reduction of carbon dioxide Physical Chemistry Chemical Physics, 21 (38). pp. 21267-21277. ISSN 1463-9076

Ghara, Manas ; Chakraborty, Debdutta ; Chattaraj, Pratim K. (2018) Confinement induced catalytic activity in a Diels-Alder reaction: comparison among various CB[n], n = 6–8, cavitands Journal of Molecular Modeling, 24 (9). ISSN 1610-2940

Majumder, Ayan ; Ghara, Manas ; Chattaraj, Pratim K. (2018) Exohedral complexation of B39- with ECp∗+ half-sandwich complexes (E Si, Ge, Sn, Pb): A DFT study Computational and Theoretical Chemistry, 1140 . pp. 49-55. ISSN 2210271X

Ghara, Manas ; Chattaraj, Pratim K. (2018) Fixation of nitrous oxide (N2 O) by 1, 4, 2, 5-diazadiborinine: A DFT study International Journal of Quantum Chemistry, 118 (14). e25593. ISSN 00207608

Pan, Sudip ; Ghara, Manas ; Kar, Susmita ; Zarate, Ximena ; Merino, Gabriel ; Chattaraj, Pratim K. (2018) Noble gas encapsulated B40 cage Physical Chemistry Chemical Physics, 20 (3). pp. 1953-1963. ISSN 1463-9076

Ghara, Manas ; Pan, Sudip ; Kumar, Anand ; Merino, Gabriel ; Chattaraj, Pratim K. (2016) Structure, stability, and nature of bonding in carbon monoxide bound EX3+ complexes (E = group 14 element; X = H, F, Cl, Br, I) Journal of Computational Chemistry, 37 (24). pp. 2202-2211. ISSN 01928651

Mondal, Sukanta ; Ghara, Manas ; Chattaraj, Pratim Kumar (2015) Hydrogen trapping potential of (HF)m (m=1–8) and (H2O)n (n=1–10) clusters Computational and Theoretical Chemistry, 1071 . pp. 18-26. ISSN 2210271X