Stereoselectivity of the nucleophilic addition of organocopper reagents to chiral .alpha.,.beta.-unsaturated carbonyl compounds. Ab initio molecular orbital studies of steric and electronic effects

Andrea E. Dorigo; Keiji Morokuma

doi:10.1021/ja00199a008

Stereoselectivity of the nucleophilic addition of organocopper reagents to chiral .alpha.,.beta.-unsaturated carbonyl compounds. Ab initio molecular orbital studies of steric and electronic effects

Journal of the American Chemical Society ◽

10.1021/ja00199a008 ◽

1989 ◽

Vol 111 (17) ◽

pp. 6524-6536 ◽

Cited By ~ 48

Author(s):

Andrea E. Dorigo ◽

Keiji Morokuma

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Carbonyl Compounds ◽

Nucleophilic Addition ◽

Electronic Effects ◽

Alpha Beta

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ChemInform Abstract: Ab initio Molecular Orbital Calculations of Electronic Effects on the Kinetics of Cyclopropylcarbinyl Radical Ring Openings.

ChemInform ◽

10.1002/chin.199835034 ◽

2010 ◽

Vol 29 (35) ◽

pp. no-no

Author(s):

F. N. MARTINEZ ◽

H. B. SCHLEGEL ◽

M. NEWCOMB

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Electronic Effects ◽

Radical Ring ◽

Kinetics Of

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Ab Initio Molecular Orbital Study of Reactivity of Active Alkyl Groups. II. Deprotonation of Some Acyclic Carbonyl Compounds with Methoxide Anion.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.39.2475 ◽

1991 ◽

Vol 39 (10) ◽

pp. 2475-2482 ◽

Cited By ~ 2

Author(s):

Tokihiro NIIYA ◽

Miho YUKAWA ◽

Hiroki MORISHITA ◽

Hirohito IKEDA ◽

Yoshinobu GOTO

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Carbonyl Compounds ◽

Molecular Orbital Study ◽

Orbital Study ◽

Alkyl Groups ◽

Methoxide Anion

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Molecular Electrostatic Potential as Reactivity Index in Hydrogen Bonding: Ab Initio Molecular Orbital Study of Complexes of Nitrile and Carbonyl Compounds with Hydrogen Fluoride†

The Journal of Physical Chemistry A ◽

10.1021/jp984313g ◽

1999 ◽

Vol 103 (34) ◽

pp. 6793-6799 ◽

Cited By ~ 74

Author(s):

Boris Galabov ◽

Petia Bobadova-Parvanova

Keyword(s):

Hydrogen Bonding ◽

Ab Initio ◽

Molecular Orbital ◽

Hydrogen Fluoride ◽

Electrostatic Potential ◽

Carbonyl Compounds ◽

Molecular Electrostatic Potential ◽

Reactivity Index ◽

Molecular Orbital Study ◽

Orbital Study

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ChemInform Abstract: AN AB INITIO MOLECULAR ORBITAL STUDY OF SUBSTITUTED CARBONYL COMPOUNDS

Chemischer Informationsdienst ◽

10.1002/chin.197514067 ◽

1975 ◽

Vol 6 (14) ◽

Author(s):

JANET E. DEL BENE ◽

GUY T. WORTH ◽

FRANCIS T. MARCHESE ◽

MICHAEL E. CONRAD

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Carbonyl Compounds ◽

Molecular Orbital Study ◽

Orbital Study

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Molecular Complexes between Sodium and Carbonyl Compounds: Photoionization and ab Initio Molecular Orbital Studies

The Journal of Physical Chemistry A ◽

10.1021/jp000062b ◽

2000 ◽

Vol 104 (46) ◽

pp. 10825-10833 ◽

Cited By ~ 4

Author(s):

L.-T. Wang ◽

T.-M. Su

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Carbonyl Compounds ◽

Molecular Complexes

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Mechanisms and transition structures for conjugate and carbonyl addition of ammonia to three small α,β-unsaturated carbonyl compounds. An ab initio molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00430-4 ◽

2001 ◽

Vol 546 (1-3) ◽

pp. 79-88 ◽

Cited By ~ 6

Author(s):

Nurten Tezer ◽

Refik Ozkan

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Carbonyl Compounds ◽

Molecular Orbital Study ◽

Orbital Study ◽

Transition Structures ◽

Carbonyl Addition

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Stereoelectronic Effects on the Nucleophilic Addition of Phosphite to the Carbonyl Double Bond: Ab Initio Molecular Orbital Calculations on Reaction Surfaces and the α-Effect

Tetrahedron ◽

10.1016/s0040-4020(01)81668-9 ◽

1987 ◽

Vol 43 (17) ◽

pp. 3863-3874 ◽

Cited By ~ 4

Author(s):

Jen-Wen A. Chang ◽

Kazunari Taira ◽

Shigeyuki Urano ◽

David G.Gorenstein

Keyword(s):

Double Bond ◽

Ab Initio ◽

Molecular Orbital ◽

Nucleophilic Addition ◽

Molecular Orbital Calculations ◽

Stereoelectronic Effects ◽

Reaction Surfaces

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.alpha.-Chelation controlled nucleophilic addition to chiral .alpha.,.beta.-dialkoxy carbonyl compounds. Diastereoselective preparation of L-xylo and L-lyxo triols

The Journal of Organic Chemistry ◽

10.1021/jo00370a005 ◽

1986 ◽

Vol 51 (20) ◽

pp. 3769-3771 ◽

Cited By ~ 42

Author(s):

Hideo Iida ◽

Naoki Yamazaki ◽

Chihiro Kibayashi

Keyword(s):

Carbonyl Compounds ◽

Nucleophilic Addition ◽

Alpha Beta

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Molecular orbital studies of methylation effects in aromatic hydrocarbons. 1. Ab initio calculations of the structure, electronic properties and energy of toluene, 1-methylnaphthalene, and 2-methylnaphthalene

The Journal of Physical Chemistry ◽

10.1021/j100331a023 ◽

1988 ◽

Vol 92 (20) ◽

pp. 5656-5666 ◽

Cited By ~ 34

Author(s):

Philip George ◽

Charles W. Bock ◽

John J. Stezowski ◽

Thomas Hildenbrand ◽

Jenny P. Glusker

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic Properties ◽

Molecular Orbital ◽

Aromatic Hydrocarbons

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Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations

Biophysical Chemistry ◽

10.1016/j.bpc.2021.106608 ◽

2021 ◽

Vol 275 ◽

pp. 106608

Author(s):

Divya Shaji ◽

Shohei Yamamoto ◽

Ryosuke Saito ◽

Ryo Suzuki ◽

Shunya Nakamura ◽

...

Keyword(s):

Molecular Docking ◽

Severe Acute Respiratory Syndrome ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Fragment Molecular Orbital ◽

Main Protease ◽

Natural Inhibitors

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