Semiempirical MO calculations on the electronic spectra of conjugated hydrocarbon radicals having degenerate ground states

J. Kuhn; P. Čársky; R. Zahradník

doi:10.1135/cccc19742175

Semiempirical MO calculations on the electronic spectra of conjugated hydrocarbon radicals having degenerate ground states

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19742175 ◽

1974 ◽

Vol 39 (8) ◽

pp. 2175-2199 ◽

Cited By ~ 12

Author(s):

J. Kuhn ◽

P. Čársky ◽

R. Zahradník

Keyword(s):

Electronic Spectra ◽

Ground States ◽

Mo Calculations ◽

Semiempirical Mo Calculations ◽

Hydrocarbon Radicals

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ChemInform Abstract: CONJUGATED RADICALS PART 19, SEMIEMPIRICAL MO CALCULATIONS ON THE ELECTRONIC SPECTRA OF CONJUGATED HYDROCARBON RADICALS HAVING DEGENERATE GROUND STATES

Chemischer Informationsdienst ◽

10.1002/chin.197444050 ◽

1974 ◽

Vol 5 (44) ◽

pp. no-no

Author(s):

J. KUHN ◽

P. CARSKY ◽

R. ZAHRADNIK

Keyword(s):

Electronic Spectra ◽

Ground States ◽

Mo Calculations ◽

Semiempirical Mo Calculations ◽

Hydrocarbon Radicals

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Semiempirical all-valence-electron MO calculations on the electronic spectra of linear radicals with degenerate ground states

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(75)90257-x ◽

1975 ◽

Vol 55 (1-3) ◽

pp. 120-130 ◽

Cited By ~ 29

Author(s):

P. Čársky ◽

J. Kuhn ◽

R. Zahradník

Keyword(s):

Electronic Spectra ◽

Valence Electron ◽

Ground States ◽

Mo Calculations

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Eilatin: Semiempirical MO Calculations of Molecular Structures and Electronic Spectra of the Unprotonated and N-Protonated Molecules

Journal of Chemical Research Synopses ◽

10.1039/a803241f ◽

1998 ◽

pp. 542-543

Author(s):

Tsuguo Sato ◽

Masahiro Kataoka

Keyword(s):

Electronic Spectra ◽

Molecular Structures ◽

Mo Calculations ◽

Semiempirical Mo Calculations ◽

Protonated Molecules

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ChemInform Abstract: Unimolecular Dissociation of Primary Alkanediazonium Ions. Ab initio and Semiempirical MO Calculations.

Chemischer Informationsdienst ◽

10.1002/chin.198651088 ◽

1986 ◽

Vol 17 (51) ◽

Author(s):

G. P. FORD

Keyword(s):

Ab Initio ◽

Unimolecular Dissociation ◽

Mo Calculations ◽

Semiempirical Mo Calculations

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ChemInform Abstract: Ionization Energies of Triazines and Tetrazines. Application of Green′ s Function Method Coupled with Semiempirical MO Calculations

ChemInform ◽

10.1002/chin.199213036 ◽

2010 ◽

Vol 23 (13) ◽

pp. no-no

Author(s):

D. DANOVICH ◽

Y. APELOIG

Keyword(s):

Function Method ◽

Mo Calculations ◽

Ionization Energies ◽

Semiempirical Mo Calculations

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ChemInform Abstract: ELECTRONIC SPECTRA OF TRIS(μ-HALO)BIS(TRIAMMINERUTHENIUM)(2+) IONS: EVIDENCE FOR DELOCALIZED MIXED-VALENCE D3H RUTHENIUM(II, III) GROUND STATES

Chemischer Informationsdienst ◽

10.1002/chin.198502005 ◽

1985 ◽

Vol 16 (2) ◽

Author(s):

N. S. HUSH ◽

J. K. BEATTIE ◽

V. M. ELLIS

Keyword(s):

Electronic Spectra ◽

Mixed Valence ◽

Ground States

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and semiempirical MO calculations of intermolecular effective exchange integrals between organic radicals. Designing of organic ferromagnet, ferrimagnet and ferromagnetic conductors

Synthetic Metals ◽

10.1016/0379-6779(87)90336-5 ◽

1987 ◽

Vol 19 (1-3) ◽

pp. 87-92 ◽

Cited By ~ 32

Author(s):

Kizashi Yamaguchi ◽

Yasuyuki Toyoda ◽

Masayoshi Nakano ◽

Takayuki Fueno

Keyword(s):

Organic Radicals ◽

Mo Calculations ◽

Semiempirical Mo Calculations ◽

Effective Exchange

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ChemInform Abstract: Gas-Phase Hydrolysis of Protonated Oxirane. Ab initio and Semiempirical MO Calculations.

ChemInform ◽

10.1002/chin.198728105 ◽

1987 ◽

Vol 18 (28) ◽

Author(s):

G. P. FORD ◽

C. T. SMITH

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Mo Calculations ◽

Semiempirical Mo Calculations ◽

Hydrolysis Of

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Molecular Structure of Heterocycles: 4# NMR Spectroscopy, X-Ray Diffraction, and Semiempirical Mo Calculations of 3-Phenyl-5-Hydroxy- 5-Trichloromethyl-4,5-Dihydro-FH-Pyrazole-1-Carboxyamide

Spectroscopy Letters ◽

10.1080/00387019909350032 ◽

1999 ◽

Vol 32 (5) ◽

pp. 851-865 ◽

Cited By ~ 3

Author(s):

Helio Bonacorso ◽

Marcos Martins ◽

Nilo Zanatta ◽

Marli Oliveira ◽

Alexandre Wentz ◽

...

Keyword(s):

Molecular Structure ◽

Nmr Spectroscopy ◽

X Ray Diffraction ◽

Mo Calculations ◽

X Ray ◽

Semiempirical Mo Calculations

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Molecular Structure of Heterocycles:3. Semiempirical MO Calculations and Karplus-Type Dihedral Angle Dependence for the Coupling Constant Relationship of Some 4,5-Dihydro-5-Hydroxy- 5(3)-Halomethylisoxazoles

Spectroscopy Letters ◽

10.1080/00387019808002755 ◽

1998 ◽

Vol 31 (3) ◽

pp. 621-631 ◽

Cited By ~ 6

Author(s):

Marcos A. P. Martins ◽

Alana N. Zoch ◽

Nilo Zanatta ◽

Alex F. C. Flores

Keyword(s):

Molecular Structure ◽

Dihedral Angle ◽

Coupling Constant ◽

Mo Calculations ◽

Angle Dependence ◽

Semiempirical Mo Calculations ◽

Relationship Of

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