S KRISHNAN
Articles written in Pramana – Journal of Physics
Volume 4 Issue 5 May 1975 pp 213-217 Solids
Elastic constants of sodium chlorate from 77 K to 350 K
K R Srinivasan E S R Gopal J Ramakrishnan S Krishnan
The elastic constants
Volume 90 Issue 3 March 2018 Article ID 0038 Research Article
Quantum chemical calculations of $\rm{Cr_{2}O_{3}/SnO_{2}}$ using density functional theory method
K RACKESH JAWAHER R INDIRAJITH S KRISHNAN R ROBERT S JEROME DAS
Quantum chemical calculations have been employed to study the molecular effects produced by $\rm{Cr_{2}O_{3}/SnO_{2}}$ optimised structure. The theoretical parameters of the transparent conducting metal oxides were calculated using DFT/B3LYP/LANL2DZ method. The optimised bond parameters such as bond lengths, bond angles and dihedral angles were calculated using the same theory. The non-linear optical property of the title compound was calculated using first-order hyperpolarisability calculation. The calculated HOMO–LUMO analysis explains the charge transfer interaction between the molecule. In addition, MEP and Mulliken atomic charges werealso calculated and analysed.
Volume 96, 2022
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