Structural transformation in $$(\hbox {MgO})_{{{n}}}$$ clusters using a gradient-only strategy and its comparison with a full Hessian-based calculation-Reference-Cited by-同舟云学术

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Structural transformation in $$(\hbox {MgO})_{{{n}}}$$ clusters using a gradient-only strategy and its comparison with a full Hessian-based calculation

Published:2020-03-18 Issue:4 Volume:95 Page:561-570
ISSN:0973-1458
Container-title:Indian Journal of Physics
language:en
Short-container-title:Indian J Phys

Author:

Mirdha R. H.,Naskar P.,Chaudhury P.

Funder

Council of Scientific & Industrial Research

Publisher

Springer Science and Business Media LLC

Subject

General Physics and Astronomy

Link

http://link.springer.com/content/pdf/10.1007/s12648-020-01724-4.pdf

Reference77 articles.

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2. A K Pathak, T Mukherjee and D K Maity J. Chem. Phys. 124 024322 (2006)

3. S Guha, S G Neogi and P Chaudhury J. Chem. Sci. 126 659 (2014)

4. E G Dikken, W H Robertson and M A Johnson J. Phys. Chem. A 108 64 (2004)

5. S G Neogi and P Chaudhury J. Comp. Chem. 34 471 (2013)

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1. Energetics and spectroscopic studies of CNO(‐)(H2O)n$$ {\mathbf{CNO}}^{\left(\hbox{-} \right)}{\left({\mathbf{H}}_{\mathbf{2}}\mathbf{O}\right)}_{\mathbf{n}} $$ clusters and the temperature dependencies of the isomers: An approach based on a combined recipe of parallel tempering and quantum chemical methods;Journal of Computational Chemistry;2024-08-16

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