A study of the electronic structures of boron trifluoride complexes with carbonyl compounds by ab initio MO methods

Benjamin W. Gung; Mark A. Wolf

doi:10.1021/jo00031a013

A study of the electronic structures of boron trifluoride complexes with carbonyl compounds by ab initio MO methods

The Journal of Organic Chemistry ◽

10.1021/jo00031a013 ◽

1992 ◽

Vol 57 (5) ◽

pp. 1370-1375 ◽

Cited By ~ 19

Author(s):

Benjamin W. Gung ◽

Mark A. Wolf

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Carbonyl Compounds ◽

Boron Trifluoride ◽

Ab Initio Mo

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Electronic and Electrostatic Effects in Nucleophilic Additions to Carbonyl Compounds: An ab initio MO Study

Australian Journal of Chemistry ◽

10.1071/ch9910765 ◽

1991 ◽

Vol 44 (5) ◽

pp. 765 ◽

Cited By ~ 19

Author(s):

SS Wong ◽

MN Paddonrow

Keyword(s):

Ab Initio ◽

Carbonyl Compounds ◽

Nucleophilic Additions ◽

Electrostatic Effects ◽

Ab Initio Mo

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Conformational analysis of organic carbonyl compounds. Part 10. Ab-initio MO calculations of the conformational properties of 3-formyl-furan, -thio-phene, and -pyrrole

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29880001501 ◽

1988 ◽

pp. 1501 ◽

Cited By ~ 7

Author(s):

Rois Benassi ◽

Ugo Folli ◽

Luisa Schenetti ◽

Ferdinando Taddei

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Carbonyl Compounds ◽

Mo Calculations ◽

Ab Initio Mo Calculations ◽

Conformational Properties ◽

Ab Initio Mo

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ChemInform Abstract: Conformational Analysis of Organic Carbonyl Compounds. Part 11. Conformational Properties of Difuryl, Dithienyl, and Furyl Thienyl Ketones Studied by X-Ray Crystallography, NMR Lanthanoid-Induced Shifts and ab initio MO Calculations.

ChemInform ◽

10.1002/chin.199009034 ◽

1990 ◽

Vol 21 (9) ◽

Author(s):

R. BENASSI ◽

U. FOLLI ◽

D. IAROSSI ◽

L. SCHENETTI ◽

F. TADDEI ◽

...

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Carbonyl Compounds ◽

Mo Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Ab Initio Mo Calculations ◽

Conformational Properties ◽

Ab Initio Mo

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ChemInform Abstract: Conformational Analysis of Organic Carbonyl Compounds. Part 7. Conformational Properties of Aroyl Derivatives of Furan and Benzo(b)furan Studied by X-Ray Crystallography, NMR Lanthanoid-Induced Shifts, and ab initio MO Calculations

ChemInform ◽

10.1002/chin.198804066 ◽

1988 ◽

Vol 19 (4) ◽

Author(s):

R. BENASSI ◽

U. FOLLI ◽

D. IAROSSI ◽

L. SCHENETTI ◽

F. TADDEI ◽

...

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Carbonyl Compounds ◽

Mo Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Ab Initio Mo Calculations ◽

Conformational Properties ◽

Ab Initio Mo ◽

Derivatives Of

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Ab initio MO study of electronic structures of closo-borane anions BnHn2- and closo-carboranes C2Bn-2Hn

The Journal of Physical Chemistry ◽

10.1021/j100196a021 ◽

1992 ◽

Vol 96 (17) ◽

pp. 6962-6969 ◽

Cited By ~ 21

Author(s):

Keiko Takano ◽

Michiyo Izuho ◽

Haruo Hosoya

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Ab Initio Mo

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ChemInform Abstract: Conformational Analysis of Organic Carbonyl Compounds. Part 10. Ab initio MO Calculations of the Conformational Properties of 3-Formyl-furan, -thiophene, and -pyrrole

ChemInform ◽

10.1002/chin.198850046 ◽

1988 ◽

Vol 19 (50) ◽

Author(s):

R. BENASSI ◽

U. FOLLI ◽

L. SCHENETTI ◽

F. TADDEI

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Carbonyl Compounds ◽

Mo Calculations ◽

Ab Initio Mo Calculations ◽

Conformational Properties ◽

Ab Initio Mo

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Conformational analysis of organic carbonyl compounds. Part 11. Conformational properties of difuryl, dithienyl, and furyl thienyl ketones studied by X-ray crystallography, n.m.r. lanthanide-induced shifts and ab-initio MO calculations

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29890001741 ◽

1989 ◽

pp. 1741 ◽

Cited By ~ 20

Author(s):

Rois Benassi ◽

Ugo Folli ◽

Dario Iarossi ◽

Luisa Schenetti ◽

Ferdinando Taddei ◽

...

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Carbonyl Compounds ◽

Mo Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Lanthanide Induced Shifts ◽

Ab Initio Mo Calculations ◽

Conformational Properties ◽

Ab Initio Mo

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The importance of electrostatic effects in controlling π-facial stereoselectivity in nucleophilic additions to carbonyl compounds: an ab initio MO study of a prototype chelation model

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39910000327 ◽

1991 ◽

Vol 0 (5) ◽

pp. 327-330 ◽

Cited By ~ 33

Author(s):

Stephen S. Wong ◽

Michael N. Paddon-Row

Keyword(s):

Ab Initio ◽

Carbonyl Compounds ◽

Nucleophilic Additions ◽

Electrostatic Effects ◽

Ab Initio Mo

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ab initio study of the electronic structures and heats of formation of some adducts of boron trifluoride

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29736901793 ◽

1973 ◽

Vol 69 ◽

pp. 1793 ◽

Cited By ~ 22

Author(s):

Robert M. Archibald ◽

David R. Armstrong ◽

Peter G. Perkins

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Boron Trifluoride ◽

Heats Of Formation ◽

Ab Initio Study

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An ab initio MO study of perfluoro-effect in thermal cyclization of buta-1,3-diene to cyclobutene

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04626-x ◽

1996 ◽

Vol 388 (1-3) ◽

pp. 201-208

Author(s):

K Giju

Keyword(s):

Ab Initio ◽

Thermal Cyclization ◽

Ab Initio Mo

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