The electronic spectra of binuclear molybdenum(II) carboxylates

L Dubicki; RL Martin

doi:10.1071/ch9691571

The electronic spectra of binuclear molybdenum(II) carboxylates

Australian Journal of Chemistry ◽

10.1071/ch9691571 ◽

1969 ◽

Vol 22 (8) ◽

pp. 1571 ◽

Cited By ~ 31

Author(s):

L Dubicki ◽

RL Martin

Keyword(s):

Fine Structure ◽

Molecular Orbital ◽

Electronic Spectra ◽

Molecular Orbital Calculation ◽

Weak Band ◽

Binuclear Structure ◽

Intense Absorption ◽

Semi Empirical

The electronic spectra of binuclear molybdenum(II) acetate, benzoate, p-fluorobenzoate, and pentafluorobutyrate show intense absorption at ≈ 30000cm-1 which may, in part, be due to strong Mo-Mo bonding. The binuclear structure is characterized by a weak band at ≈ 23000 cm-1 which displays extensive vibrational fine structure. A semi-empirical molecular orbital calculation is used as an aid in the interpretation of the spectra.

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Calculations on the electronic spectra of trans-butadiene by a semi-empirical molecular-orbital approximation

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9540003455 ◽

1954 ◽

pp. 3455 ◽

Cited By ~ 5

Author(s):

Carl M. Moser

Keyword(s):

Molecular Orbital ◽

Electronic Spectra ◽

Orbital Approximation ◽

Semi Empirical

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Investigation of naproxen drug using mass spectrometry, thermal analyses and semi-empirical molecular orbital calculation

Arabian Journal of Chemistry ◽

10.1016/j.arabjc.2013.09.025 ◽

2017 ◽

Vol 10 (3) ◽

pp. 351-359 ◽

Cited By ~ 3

Author(s):

M.A. Zayed ◽

M.F. Hawash ◽

M. El-Desawy ◽

Ali M.M. El-Gizouli

Keyword(s):

Mass Spectrometry ◽

Molecular Orbital ◽

Thermal Analyses ◽

Molecular Orbital Calculation ◽

Semi Empirical

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Dipole moments and orbital energies from ARCANA: A semi-empirical molecular orbital calculation program

International Journal of Quantum Chemistry ◽

10.1002/qua.560050836 ◽

2009 ◽

Vol 5 (S5) ◽

pp. 307-316 ◽

Cited By ~ 6

Author(s):

Joyce H. Corrington ◽

H. S. Aldrich ◽

C. W. Mccurdy ◽

L. C. Cusachs

Keyword(s):

Molecular Orbital ◽

Dipole Moments ◽

Molecular Orbital Calculation ◽

Orbital Energies ◽

Semi Empirical

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Semi-empirical Self-consistent Field Molecular Orbital Calculation of the Electronic Structure of the Base Components of Nucleic Acids

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.38.1638 ◽

1965 ◽

Vol 38 (10) ◽

pp. 1638-1645 ◽

Cited By ~ 42

Author(s):

Chikayoshi Nagata ◽

Akira Imamura ◽

Yusaku Tagashira ◽

Masahiko Kodama

Keyword(s):

Electronic Structure ◽

Nucleic Acids ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Semi Empirical

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Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o-Quinodimethanes by Semi-Empirical Molecular Orbital Calculation

Letters in Organic Chemistry ◽

10.2174/157017811794697539 ◽

2011 ◽

Vol 8 (2) ◽

pp. 138-142 ◽

Cited By ~ 7

Author(s):

Keisuke Chino ◽

Takeshi Endo

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Thermal Isomerization ◽

Semi Empirical

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Linear Discriminant Analysis for the in Silico Discovery of Mechanism-Based Reversible Covalent Inhibitors of a Serine Protease: Application of Hydration Thermodynamics Analysis and Semi-empirical Molecular Orbital Calculation

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.c17-00854 ◽

2018 ◽

Vol 66 (4) ◽

pp. 399-409 ◽

Cited By ~ 1

Author(s):

Yosuke Masuda ◽

Tomoki Yoshida ◽

Noriyuki Yamaotsu ◽

Shuichi Hirono

Keyword(s):

Discriminant Analysis ◽

Linear Discriminant Analysis ◽

Serine Protease ◽

Molecular Orbital ◽

In Silico ◽

Molecular Orbital Calculation ◽

Linear Discriminant ◽

Covalent Inhibitors ◽

Reversible Covalent ◽

Semi Empirical

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Chemisorption of hydrogen on different planes of graphite — a semi-empirical molecular orbital calculation

Surface Science Letters ◽

10.1016/0167-2584(89)91279-6 ◽

1989 ◽

Vol 216 (3) ◽

pp. A334

Author(s):

J.P. Chen ◽

R.T. Yang

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Semi Empirical

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Molecular-orbital calculation of the electronic spectra of salicylalkylimines

Theoretical and Experimental Chemistry ◽

10.1007/bf00524031 ◽

1967 ◽

Vol 1 (6) ◽

pp. 478-481

Author(s):

N. P. Gambaryan ◽

V. V. Mishchenko ◽

L. A. Kazitsyna

Keyword(s):

Molecular Orbital ◽

Electronic Spectra ◽

Molecular Orbital Calculation

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Semi-empirical Self-consistent Field Molecular Orbital Calculation of Transition Energy and Oscillator Strength for the Stacked Complexes of Pyrene and 3,4-Benzopyrene with DNA Bases

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.40.2564 ◽

1967 ◽

Vol 40 (11) ◽

pp. 2564-2568 ◽

Cited By ~ 6

Author(s):

Chikayoshi Nagata ◽

Hiroko Fujita ◽

Akira Imamura

Keyword(s):

Oscillator Strength ◽

Molecular Orbital ◽

Transition Energy ◽

Molecular Orbital Calculation ◽

Dna Bases ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Semi Empirical

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Transition state leading to β-O′ quinonemethide intermediate of p-coumaryl alcohol analyzed by semi-empirical molecular orbital calculation

Journal of Wood Science ◽

10.1007/s10086-005-0737-4 ◽

2006 ◽

Vol 52 (2) ◽

pp. 128-133 ◽

Cited By ~ 11

Author(s):

Mikiji Shigematsu ◽

Takayuki Kobayashi ◽

Hiroyasu Taguchi ◽

Mitsuhiko Tanahashi

Keyword(s):

Transition State ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Semi Empirical

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