| New heteroleptic bis-phenanthroline copper (I) complexes with dipyridophenazine or imidazole fused phenanthroline ligands: spectral, electrochemical, and quantum chemical studies Y Pellegrin, M Sandroni, E Blart, A Planchat, M Evain, NC Bera, ... Inorganic Chemistry 50 (22), 11309-11322, 2011 | 73 | 2011 |
| Ab initio and density functional study of spectroscopic properties of CuO and CuS S Midda, NC Bera, I Bhattacharyya, AK Das Journal of Molecular Structure: THEOCHEM 761 (1-3), 17-20, 2006 | 19 | 2006 |
| Spectroscopic properties of Zn2, ZnHe, ZnNe and ZnAr van der Waals molecules: A CCSD (T) study NC Bera, AK Das Chemical physics letters 437 (4-6), 257-261, 2007 | 14 | 2007 |
| Ion chemistry of VX surrogates and ion energetics properties of VX: New suggestions for VX chemical ionization mass spectrometry detection AJ Midey, TM Miller, AA Viggiano, NC Bera, S Maeda, K Morokuma Analytical chemistry 82 (9), 3764-3771, 2010 | 13 | 2010 |
| Structures and spectral properties of heteroleptic copper (I) complexes: A theoretical study based on density functional theory M Kayanuma, N Bera, M Sandroni, Y Pellegrin, E Blart, F Odobel, ... Comptes Rendus. Chimie 15 (2-3), 255-266, 2012 | 9 | 2012 |
| Theoretical Proton Affinity and Fluoride Affinity of Nerve Agent VX NC Bera, S Maeda, K Morokuma, AA Viggiano The Journal of Physical Chemistry A 114 (50), 13189-13197, 2010 | 8 | 2010 |
| Ab initio study of spectroscopic properties of RgCl (Rg= He, Ne, Ar, Kr) and their anions NC Bera, AK Das Molecular Physics 105 (10), 1433-1439, 2007 | 8 | 2007 |
| Theoretical study of structural properties and dissociation pathways of FCN and ClCN I Bhattacharyya, NC Bera, AK Das The European Physical Journal D 42, 221-226, 2007 | 8 | 2007 |
| Ab initio study of spectroscopic properties of CuAr, CuAr+ and CuAr− NC Bera, I Bhattacharyya, AK Das Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 67 (3-4 …, 2007 | 7 | 2007 |
| B3LYP density functional study of spectroscopic properties of CuO- and CuS NCBAKD S. Midda International Journal of Quantum chemistry 105 (1), 43-47, 0 | 7* | |
| Spectroscopy and dissociation of HX2+ (X= Cl, Br, I) D Ghosh, NC Bera, AK Das Chemical Physics Letters 461 (4-6), 348-352, 2008 | 6 | 2008 |
| Stability, structural properties, and dissociation pathways of silylidyne‐amines RSiN and silylidyne‐phosphanes RSiP (R= F, Cl) I Bhattacharyya, NC Bera, AK Das International Journal of Quantum Chemistry 108 (3), 447-455, 2008 | 6 | 2008 |
| Spectroscopic constants and molecular properties of rare‐gas diatomic molecule in Lennard‐Jones potential: Ab initio and density functional study NC Bera, I Bhattacharyya, AK Das International Journal of Quantum Chemistry 107 (4), 824-831, 2007 | 6 | 2007 |
| Ab initio study of spectroscopic properties of CuO− and CuS− S Midda, NC Bera, I Bhattacharyya, AK Das Journal of Molecular Structure: THEOCHEM 725 (1-3), 251-254, 2005 | 6 | 2005 |
| Coupled cluster study of structural properties of RgI and RgI− (Rg = He, Ne, Ar) weakly bound molecules S Pakhira, NC Bera, AK Das Structural Chemistry 22, 893-900, 2011 | 5 | 2011 |
| Stability, spectroscopic constants, and dissociation of CO2+: A theoretical study B Mondal, NC Bera, AK Das International Journal of Quantum Chemistry 109 (3), 469-476, 2009 | 5 | 2009 |
| Tuning the optical properties of zirconium-based metal-organic frameworks by post-synthetic modifications SP Biswal, J Panda, T Samantaray, J Swain, NC Bera, N Agasti, VS Saji, ... Materials Letters 346, 134497, 2023 | 3 | 2023 |
| Structure and dissociation of cyanogen halides BrCN and ICN I Bhattacharyya, B Mondal, NC Bera, AK Das International Journal of Quantum Chemistry 110 (6), 1165-1171, 2010 | 3 | 2010 |
| Theoretical study of XCN− (XF,Cl) anions I Bhattacharyya, NC Bera, AK Das International Journal of Quantum Chemistry 107 (3), 680-684, 2007 | 3 | 2007 |
| Theoretical study of spectroscopic constants and molecular properties of rare‐gas diatomic cations NC Bera, I Bhattacharyya, AK Das International Journal of Quantum Chemistry 107 (5), 1067-1072, 2007 | 1 | 2007 |
