Performance of different density functionals for the calculation of vibrational frequencies with vibrational coupled cluster method in bosonic representation L Ravichandran, S Banik Theoretical Chemistry Accounts 137 (1), 1, 2018 | 14 | 2018 |
Intermolecular ligand exchange in alkyltin trihalides: Semiempirical and density functional theory calculations BS Krishnamoorthy, R Lalitha, K Panchanatheswaran, PK Chattaraj Journal of Molecular Structure: THEOCHEM 761 (1-3), 89-95, 2006 | 9 | 2006 |
Anomalous description of the anharmonicity of bending motions of carbon–carbon double bonded molecules with the MP2 method: ethylene as a case study L Ravichandran, S Banik Physical Chemistry Chemical Physics 20 (43), 27329-27341, 2018 | 8 | 2018 |
Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory S Banik, L Ravichandran, J Brabec, I Hubač, K Kowalski, J Pittner The Journal of Chemical Physics 142 (11), 2015 | 8 | 2015 |
Effect of Triples to Dipole Moments in Fock-Space Multireference Coupled Cluster Method L Ravichandran, N Vaval, S Pal Journal of Chemical Theory and computation 7 (4), 876-883, 2011 | 6 | 2011 |
Investigation of the Failure of the MP2 Method to Describe the Out-of-Plane Bending Motions of Carbon–Carbon Double-Bonded Molecules: The Role of Atomic Orbitals L Ravichandran, S Banik The Journal of Physical Chemistry A 125 (42), 9298-9317, 2021 | 5 | 2021 |
Raman spectral calculation by vibrational coupled-cluster method in bosonic representation S Banik, L Ravichandran, M Durga Prasad Molecular Physics 115 (21-22), 2755-2764, 2017 | 5 | 2017 |
Magnetizability of doublet radicals using Fock space multi‐reference coupled cluster method L Ravichandran, N Vaval, S Pal International Journal of Quantum Chemistry 109 (10), 2191-2198, 2009 | 4 | 2009 |
Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals# L Ravichandran, D Bhattacharya, N Vaval, S Pal Journal of chemical sciences 124, 223-232, 2012 | 3 | 2012 |
An equation of motion approach for the vibrational transition energies in the effective harmonic oscillator formalism: the Random phase approximation T Dinesh, L Ravichandran, MD Prasad Journal of Chemical Sciences 132, 1-8, 2020 | 1 | 2020 |
A failure of double hybrid density functional method: Out‐of‐plane bending vibrations for the carbon‐carbon double‐bonded molecules L Ravichandran International Journal of Quantum Chemistry 124 (1), e27303, 2024 | | 2024 |
Partial triples excitation to the Fock space multi-reference singles and doubles: Dipole moment of doublet radicals L Ravichandran, N Vaval, S Pal AIP Conference Proceedings 1642 (1), 223-226, 2015 | | 2015 |
Study of magnetic properties of molecules using coupled cluster method L Ravichandran CSIR-National Chemical Laboratory, Pune, India, 2011 | | 2011 |
Chemical shielding of closed-shell molecules using Extended Coupled-cluster theory L Ravichandran, S Joshi, N Vaval Recent Advances in Spectroscopy: Theoretical, Astrophysical and Experimental …, 2010 | | 2010 |