A personal story on a renaissance in valence bond theory: A theory coming of age!

Sason Shaik

doi:10.1016/j.comptc.2017.02.011

A personal story on a renaissance in valence bond theory: A theory coming of age!

Sason Shaik

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

This is a personal story on the author's way of ‘discovering’ valence bond theory and using it to formulate unified models of chemical reactivity and bonding. Since scientific life is just a part of life, the story blends sub-stories of life events with stories on scientific events, colleagues, papers, meetings, and friendships. This is also a story of a wonderful and insightful theory, which is coming of age with applications and computational capabilities that start to match the most advanced post Hartree-Fock calculations.

Original language	English
Pages (from-to)	2-31
Number of pages	30
Journal	Computational and Theoretical Chemistry
Volume	1116
DOIs	https://doi.org/10.1016/j.comptc.2017.02.011
State	Published - 15 Sep 2017

Bibliographical note

Publisher Copyright:
© 2017 Elsevier B.V.

Keywords

Bonding in metal clusters
Bonding models
Charge-shift bonding
Diels-Alder
Electric field effects
Excited states
H-abstraction
P450 epoxidation
P450 hydroxylation
PCET
Quadruple bonding
S2
VB modeling of chemical reactivity
VBCMD
VBSCD
Valence bond state-correlation diagrams
Valence-bond theory

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10.1016/j.comptc.2017.02.011

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title = "A personal story on a renaissance in valence bond theory: A theory coming of age!",

abstract = "This is a personal story on the author's way of {\textquoteleft}discovering{\textquoteright} valence bond theory and using it to formulate unified models of chemical reactivity and bonding. Since scientific life is just a part of life, the story blends sub-stories of life events with stories on scientific events, colleagues, papers, meetings, and friendships. This is also a story of a wonderful and insightful theory, which is coming of age with applications and computational capabilities that start to match the most advanced post Hartree-Fock calculations.",

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doi = "10.1016/j.comptc.2017.02.011",

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KW - Charge-shift bonding

KW - Diels-Alder

KW - Electric field effects

KW - Excited states

KW - H-abstraction

KW - P450 epoxidation

KW - P450 hydroxylation

KW - PCET

KW - Quadruple bonding

KW - S2

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KW - VBSCD

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A personal story on a renaissance in valence bond theory: A theory coming of age!

Abstract

Bibliographical note

Keywords

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