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lalitha ravichandran
lalitha ravichandran
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Zweryfikowany adres z uohyd.ac.in
Tytuł
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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
152018
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
92006
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
82018
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
82015
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
62011
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
52021
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
52017
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
42009
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
32012
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
12020
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
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