Sason Shaik - researchr alias

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Viewing Publication 1 - 13 from 13

2022

Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβShalini Yadav, Sason Shaik, Shakir Ali Siddiqui, Surajit Kalita, Kshatresh Dutta Dubey. jcisd, 62(4):1025-1035, 2022. [doi]

2020

TITAN: A Code for Modeling and Generating Electric Fields - Features and Applications to Enzymatic ReactivityThijs Stuyver, Jing Huang, Dibyendu Mallick, David Danovich, Sason Shaik. jcc, 41(1):74-82, 2020. [doi]

2019

Attraction between electrophilic caps: A counterintuitive case of noncovalent interactionsChangwei Wang, David Danovich, Sason Shaik, Wei Wu, Yirong Mo. jcc, 40(9):1015-1022, 2019. [doi]

2018

Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature?Changwei Wang, Yuzhuang Fu, Lina Zhang, David Danovich, Sason Shaik, Yirong Mo. jcc, 39(9):481-487, 2018. [doi]

2016

#Changwei Wang, Liangyu Guan, David Danovich, Sason Shaik, Yirong Mo. jcc, 37(1):34-45, 2016. [doi]

2013

An efficient algorithm for complete active space valence bond self-consistent field calculationJinshuai Song, Zhenhua Chen, Sason Shaik, Wei Wu. jcc, 34(1):38-48, 2013. [doi]

2011

Automatic analysis of computed catalytic cyclesAndreas Uhe, Sebastian Kozuch, Sason Shaik. jcc, 32(5):978-985, 2011. [doi]

2007

ForewordGernot Frenking, Sason Shaik. jcc, 28(1):1-3, 2007. [doi]

A survey of recent developments in ab initio valence bond theoryPhilippe C. Hiberty, Sason Shaik. jcc, 28(1):137-151, 2007. [doi]

The Lewis legacy: The chemical bond - A territory and heartland of chemistrySason Shaik. jcc, 28(1):51-61, 2007. [doi]

A valence bond study of the dioxygen moleculePeifeng Su, Lingchun Song, Wei Wu, Philippe C. Hiberty, Sason Shaik. jcc, 28(1):185-197, 2007. [doi]

2006

Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphorAhmet Altun, Sason Shaik, Walter Thiel. jcc, 27(12):1324-1337, 2006. [doi]

2004

A practical valence bond method: A configuration interaction method approach with perturbation theoretic facilityLingchun Song, Wei Wu, Qianer Zhang, Sason Shaik. jcc, 25(4):472-478, 2004. [doi]

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