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Shaama Mallikarjun Sharada

3PUBLICATIONS

130CO-AUTHORS

Theoretical quantum chemistryMetal cluster chemistryStatistical mechanics in chemistry

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Publications (3)

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|Sep 02, 2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Jul 09, 2021

Adsorbate-assisted migration of the metal atom in atomically dispersed catalysts: An ab initio molecular dynamics study.

Nicholas Humphrey, Selin Bac, Shaama Mallikarjun Sharada

|Aug 11, 2020

A matrix completion algorithm to recover modes orthogonal to the minimum energy path in chemical reactions.

Stephen Jon Quiton, Urbashi Mitra, Shaama Mallikarjun Sharada

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Ka Un Lao

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Kaushik D Nanda

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Alec F White

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Marc P Coons

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