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

L.-T. Wang; T.-M. Su

doi:10.1021/jp000062b

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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Ab initio molecular orbital calculations on the water-carbon dioxide system: Molecular complexes

Chemical Physics Letters ◽

10.1016/0009-2614(75)85497-2 ◽

1975 ◽

Vol 30 (1) ◽

pp. 58-59 ◽

Cited By ~ 68

Author(s):

B. Jönsson ◽

G. Karlström ◽

H. Wennerström

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Complexes ◽

Molecular Orbital Calculations

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Conformational Analysis of the Molecular Complexes of Sodium with Methanol and 1,2-Ethanediol: Photoionization and ab Initio Molecular Orbital Studies

The Journal of Physical Chemistry A ◽

10.1021/jp9838137 ◽

1999 ◽

Vol 103 (16) ◽

pp. 3115-3122 ◽

Cited By ~ 5

Author(s):

T.-S. Yeh ◽

T.-M. Su

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Complexes

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Molecular Complexes of Potassium with Methanol and 1,2-Ethanediol: Photoionization and ab Initio Molecular Orbital Studies

The Journal of Physical Chemistry ◽

10.1021/j100087a011 ◽

1994 ◽

Vol 98 (36) ◽

pp. 8876-8885 ◽

Cited By ~ 4

Author(s):

C.-L. Hsu ◽

T.-S. Yeh ◽

T.-M. Su

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Complexes

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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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Ab initio molecular orbital calculations of the structures and vibrational spectra of some molecular complexes containing sulphur dioxide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2008.10.007 ◽

2009 ◽

Vol 924-926 ◽

pp. 466-472 ◽

Cited By ~ 9

Author(s):

Thomas A. Ford

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Vibrational Spectra ◽

Sulphur Dioxide ◽

Molecular Complexes ◽

Molecular Orbital Calculations

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Molecular complexes between potassium and ethylenediamine: photoionization and ab initio molecular orbital studies

Journal of the American Chemical Society ◽

10.1021/ja00049a058 ◽

1992 ◽

Vol 114 (23) ◽

pp. 9169-9177 ◽

Cited By ~ 4

Author(s):

Y. H. Liau ◽

T. M. Su

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

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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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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