Výsledky vyhledávání - "Asma H. Maneri"

Akademický článek

Mapping the Finite-Temperature Behavior of Conformations to Their Potential Energy Barriers: Case Studies on Si6B and Si5B Clusters

Autor: Asma H. Maneri, Chandrodai Pratap Singh, Ravi Kumar, Ashakiran Maibam, Sailaja Krishnamurty

Publikováno v: ACS Omega, Vol 7, Iss 7, Pp 6167-6173 (2022)

Externí odkaz: https://doaj.org/article/bc4d2afc23454489aadbbcaf04f6a4a0

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Mapping the Finite-Temperature Behavior of Conformations to Their Potential Energy Barriers: Case Studies on Si

Autor: Asma H, Maneri, Chandrodai Pratap, Singh, Ravi, Kumar, Ashakiran, Maibam, Sailaja, Krishnamurty

Publikováno v: ACS omega. 7(7)

Dynamical simulations of molecules and materials have been the route to understand the rearrangement of atoms within them at different temperatures. Born-Oppenheimer molecular dynamical simulations have further helped to comprehend the reaction dynam

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::f23f583739ad15e6b360d4a03c5484f1
https://pubmed.ncbi.nlm.nih.gov/35224380

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