Molecular orbital theory of organometallic compounds. 14. Calculation of the carbon-13 NMR paramagnetic shielding in tricarbonylarenemetals

David A. Brown; Joseph P. Chester; Noel J. Fitzpatrick; Ian J. King

doi:10.1021/ic50176a014

Molecular orbital theory of organometallic compounds. 14. Calculation of the carbon-13 NMR paramagnetic shielding in tricarbonylarenemetals

Inorganic Chemistry ◽

10.1021/ic50176a014 ◽

1977 ◽

Vol 16 (10) ◽

pp. 2497-2500 ◽

Cited By ~ 23

Author(s):

David A. Brown ◽

Joseph P. Chester ◽

Noel J. Fitzpatrick ◽

Ian J. King

Keyword(s):

Molecular Orbital ◽

Organometallic Compounds ◽

Molecular Orbital Theory ◽

Orbital Theory

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ChemInform Abstract: MOLECULAR ORBITAL THEORY OF THE PROPERTIES OF INORGANIC AND ORGANOMETALLIC COMPOUNDS. 2. STO-NG BASIS SETS FOR FOURTH-ROW MAIN-GROUP ELEMENTS

Chemischer Informationsdienst ◽

10.1002/chin.198204001 ◽

1982 ◽

Vol 13 (4) ◽

Author(s):

W. J. PIETRO ◽

E. S. BLUROCK ◽

R. F. JUN. HOUT ◽

W. J. HEHRE ◽

D. J. DEFREES ◽

...

Keyword(s):

Molecular Orbital ◽

Organometallic Compounds ◽

Main Group ◽

Basis Sets ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Main Group Elements

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Molecular orbital theory of the properties of inorganic and organometallic compounds. 3.STO-3G basis sets for first- and second-row transition metals

Journal of Computational Chemistry ◽

10.1002/jcc.540040215 ◽

1983 ◽

Vol 4 (2) ◽

pp. 241-251 ◽

Cited By ~ 74

Author(s):

William J. Pietro ◽

Warren J. Hehre

Keyword(s):

Transition Metals ◽

Molecular Orbital ◽

Organometallic Compounds ◽

Basis Sets ◽

Molecular Orbital Theory ◽

Orbital Theory

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507. Molecular-orbital theory of organometallic compounds. Part V. Far-infrared spectra of the tricarbonylarenechromiums

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9650002822 ◽

1965 ◽

pp. 2822 ◽

Cited By ~ 20

Author(s):

David A. Brown ◽

D. G. Carroll

Keyword(s):

Molecular Orbital ◽

Infrared Spectra ◽

Organometallic Compounds ◽

Far Infrared ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Far Infrared Spectra

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Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third-and fourth-row, main-group elements

Journal of Computational Chemistry ◽

10.1002/jcc.540070313 ◽

1986 ◽

Vol 7 (3) ◽

pp. 359-378 ◽

Cited By ~ 376

Author(s):

K. D. Dobbs ◽

W. J. Hehre

Keyword(s):

Molecular Orbital ◽

Organometallic Compounds ◽

Main Group ◽

Basis Sets ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Main Group Elements ◽

Extended Basis

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Molecular orbital theory of organometallic compounds. Part XI. Electronic structures of the tricarbonylarenemetals of Group VI

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19690001534 ◽

1969 ◽

pp. 1534 ◽

Cited By ~ 22

Author(s):

David A. Brown ◽

R. M. Rawlinson

Keyword(s):

Molecular Orbital ◽

Electronic Structures ◽

Organometallic Compounds ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Group Vi

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Molecular orbital theory of organometallic compounds. Part XIII. Electronic structures and reactivities of halogenopentacarbonyl compounds of manganese and rhenium

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19710002083 ◽

1971 ◽

pp. 2083 ◽

Cited By ~ 14

Author(s):

David A. Brown ◽

W. J. Chambers

Keyword(s):

Molecular Orbital ◽

Electronic Structures ◽

Organometallic Compounds ◽

Molecular Orbital Theory ◽

Orbital Theory

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Molecular orbital theory of the properties of inorganic and organometallic compounds 5. Extended basis sets for first-row transition metals

Journal of Computational Chemistry ◽

10.1002/jcc.540090713 ◽

1988 ◽

Vol 9 (7) ◽

pp. 801-801 ◽

Cited By ~ 1

Author(s):

K. D. Dobbs ◽

W. J. Hehre

Keyword(s):

Transition Metals ◽

Molecular Orbital ◽

Organometallic Compounds ◽

Basis Sets ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Extended Basis

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