Theory of Transition-Metal Complexes: Unrestricted Hartree-Fock Molecular-Orbital Method and Its Application to KNiF3

D. E. Ellis; A. J. Freeman; P. Ros

doi:10.1103/physrev.176.688

Theory of Transition-Metal Complexes: Unrestricted Hartree-Fock Molecular-Orbital Method and Its Application to KNiF3

Physical Review ◽

10.1103/physrev.176.688 ◽

1968 ◽

Vol 176 (2) ◽

pp. 688-707 ◽

Cited By ~ 54

Author(s):

D. E. Ellis ◽

A. J. Freeman ◽

P. Ros

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Molecular Orbital ◽

Transition Metal Complexes ◽

Orbital Method ◽

Molecular Orbital Method ◽

Hartree Fock

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Special Issue on Recent Developments of the Study on Catalytic Reaction Mechanisms. Understanding of the Catalytic Reactions of Transition Metal Complexes by Using Molecular Orbital Method.

Hyomen Kagaku ◽

10.1380/jsssj.17.182 ◽

1996 ◽

Vol 17 (4) ◽

pp. 182-187

Author(s):

Nobuaki KOGA

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Catalytic Reaction ◽

Reaction Mechanisms ◽

Catalytic Reactions ◽

Orbital Method ◽

Molecular Orbital Method ◽

Special Issue ◽

Recent Developments

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ChemInform Abstract: SEMIEMPIRICAL MOLECULAR ORBITAL CONSIDERATIONS OF THE ELECTRONIC STRUCTURES OF TRANSITION METAL COMPLEXES. II. ACETYLENE- AND AZO-NICKEL COMPLEXES

Chemischer Informationsdienst ◽

10.1002/chin.197648063 ◽

1976 ◽

Vol 7 (48) ◽

pp. no-no

Author(s):

K. TATSUMI ◽

T. FUENO ◽

A. NAKAMURA ◽

S. OTSUKA

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Molecular Orbital ◽

Transition Metal Complexes ◽

Electronic Structures ◽

Nickel Complexes ◽

Semiempirical Molecular Orbital

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Molecular orbital calculations on transition metal complexes. Part II. Hexa-aquometal(II) and hexa-aquometal(III) ions

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19710000299 ◽

1971 ◽

pp. 299 ◽

Cited By ~ 22

Author(s):

D. W. Clack ◽

M. S. Farrimond

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Molecular Orbital ◽

Transition Metal Complexes ◽

Molecular Orbital Calculations

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Theoretical elucidation of reaction mechanisms of transition metal complex catalysts using the molecular orbital method.

Journal of Synthetic Organic Chemistry Japan ◽

10.5059/yukigoseikyokaishi.45.1055 ◽

1987 ◽

Vol 45 (11) ◽

pp. 1055-1064 ◽

Cited By ~ 2

Author(s):

Nobuaki KOGA ◽

Keiji MOROKUMA

Keyword(s):

Transition Metal ◽

Metal Complex ◽

Molecular Orbital ◽

Reaction Mechanisms ◽

Transition Metal Complex ◽

Orbital Method ◽

Molecular Orbital Method ◽

Metal Complex Catalysts

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Molecular orbital studies of some transition metal complexes

Theoretica Chimica Acta ◽

10.1007/bf00527692 ◽

1970 ◽

Vol 19 (4) ◽

pp. 310-325 ◽

Cited By ~ 31

Author(s):

G. Brouck�re

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Molecular Orbital ◽

Transition Metal Complexes

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Molecular Orbital Theory, Chemical Bonding, and Photoelectron Spectroscopy for Transition Metal Complexes

Progress in Inorganic Chemistry ◽

10.1002/9780470166222.ch8 ◽

2007 ◽

pp. 179-208 ◽

Cited By ~ 18

Author(s):

Richard F. Fenske

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Molecular Orbital ◽

Transition Metal Complexes ◽

Chemical Bonding ◽

Photoelectron Spectroscopy ◽

Molecular Orbital Theory ◽

Orbital Theory

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ChemInform Abstract: MOLECULAR ORBITAL CALCULATIONS ON TRANSITION METAL COMPLEXES. PART XXIV. BIS-(Π-PYRIDINE)CHROMIUM AND ITS CATION

Chemischer Informationsdienst ◽

10.1002/chin.197925079 ◽

1979 ◽

Vol 10 (25) ◽

Author(s):

D. W. CLACK ◽

K. D. WARREN

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Molecular Orbital ◽

Transition Metal Complexes ◽

Molecular Orbital Calculations

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ChemInform Abstract: LOCALIZED MOLECULAR ORBITAL STUDIES ON TRANSITION-METAL COMPLEXES. III. LOCALIZED VALENCE STRUCTURES OF TRANSITION-METAL CARBENE COMPLEXES

Chemischer Informationsdienst ◽

10.1002/chin.198533076 ◽

1985 ◽

Vol 16 (33) ◽

Author(s):

D. S. MARYNICK ◽

C. M. KIRKPATRICK

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Molecular Orbital ◽

Transition Metal Complexes ◽

Carbene Complexes

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Molecular orbital calculations on transition metal complexes. Part IX

Theoretica Chimica Acta ◽

10.1007/bf00554339 ◽

1974 ◽

Vol 36 (2) ◽

pp. 87-92 ◽

Cited By ~ 3

Author(s):

Denis W. Clack ◽

William Smith

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Molecular Orbital ◽

Transition Metal Complexes ◽

Molecular Orbital Calculations

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ChemInform Abstract: AB-INITIO SCF MOLECULAR ORBITAL CALCULATIONS ON DINITROGEN TRANSITION METAL COMPLEXES

Chemischer Informationsdienst ◽

10.1002/chin.198045003 ◽

1980 ◽

Vol 11 (45) ◽

Author(s):

J. N. MURRELL ◽

A. AL-DERZI ◽

G. J. LEIGH ◽

M. F. GUEST

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Ab Initio ◽

Molecular Orbital ◽

Transition Metal Complexes ◽

Molecular Orbital Calculations

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