Prediction on the mass spectra of normal alkanes with the molecular orbital theory

The Journal of Physical Chemistry ◽

10.1021/j100710a023 ◽

1970 ◽

Vol 74 (16) ◽

pp. 3147-3148 ◽

Author(s):

Mitsuo Saito ◽

Iwao Fujita ◽

Kozo Hirota

Keyword(s):

Molecular Orbital ◽

Mass Spectra ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

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A study of low energy electron impact mass spectra using molecular orbital theory

International Journal of Mass Spectrometry and Ion Physics ◽

10.1016/0020-7381(83)80097-7 ◽

1983 ◽

Vol 46 ◽

pp. 239-242 ◽

Author(s):

M. Yamamoto ◽

T. Takeuchi ◽

K. Nishimoto

Keyword(s):

Electron Impact ◽

Molecular Orbital ◽

Mass Spectra ◽

Energy Electron ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Electron Impact Mass ◽

Low Energy Electron ◽

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Applications of molecular orbital theory to the interpretation of mass spectra. Prediction of primary fragmentation sites in organic molecules

Organic Mass Spectrometry ◽

10.1002/oms.1210071105 ◽

1973 ◽

Vol 7 (11) ◽

pp. 1241-1251 ◽

Author(s):

Gilda Loew ◽

Michael Chadwick ◽

Dennis Smith

Keyword(s):

Molecular Orbital ◽

Mass Spectra ◽

Organic Molecules ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Primary Fragmentation

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Application of molecular orbital theory to the interpretation of mass spectra study of substituent effect on a series of acetophenones

Organic Mass Spectrometry ◽

10.1002/oms.1210111107 ◽

1976 ◽

Vol 11 (11) ◽

pp. 1158-1167 ◽

Author(s):

Gilda H. Loew ◽

Robert F. Kirchner ◽

James G. Lawless

Keyword(s):

Molecular Orbital ◽

Substituent Effect ◽

Mass Spectra ◽

Molecular Orbital Theory ◽

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ChemInform Abstract: THEORETICAL CALCULATION OF THE CARBON-13 CHEMICAL SHIFTS OF SOME NORMAL ALKANES BY THE LINEAR COMBINATION OF GAUGE INVARIANT ATOMIC ORBITALS-MOLECULAR ORBITAL THEORY USING INDO AND MINDO/2 METHODS

Chemischer Informationsdienst ◽

10.1002/chin.197430082 ◽

1974 ◽

Vol 5 (30) ◽

Author(s):

ISAO ANDO ◽

ATSUO NISHIOKA ◽

MASAHIRO KONDO

Keyword(s):

Theoretical Calculation ◽

Linear Combination ◽

Molecular Orbital ◽

Chemical Shifts ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Normal Alkanes ◽

Gauge Invariant ◽

Atomic Orbitals

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Theoretical Calculation of the Carbon-13 Chemical Shifts of Some Normal Alkanes by the Linear Combination of Gauge Invariant Atomic Orbitals-Molecular Orbital Theory Using INDO and MINDO/2 Methods

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.47.1097 ◽

1974 ◽

Vol 47 (5) ◽

pp. 1097-1104 ◽

Author(s):

Isao Ando ◽

Atsuo Nishioka ◽

Masahiro Kondo

Keyword(s):

Theoretical Calculation ◽

Linear Combination ◽

Molecular Orbital ◽

Chemical Shifts ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Normal Alkanes ◽

Gauge Invariant ◽

Atomic Orbitals

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Quantitative explanation of the bond scission of cycloalkanes in mass spectra with the “molecular orbital theory”

Tetrahedron Letters ◽

10.1016/s0040-4039(01)84191-5 ◽

1966 ◽

Vol 7 (46) ◽

pp. 5757-5760 ◽

Author(s):

Kozo Hirota ◽

Yoshio Niwa

Keyword(s):

Molecular Orbital ◽

Mass Spectra ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Bond Scission ◽

Quantitative Explanation

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Bonding in Transition Metal Silyl Dimers. Molecular Orbital Theory

10.21236/ada208269 ◽

1989 ◽

Author(s):

Alfred B. Anderson ◽

Paul Shiller ◽

Eugene A. Zarate ◽

Claire A. Tessier-Youngs ◽

Wiley J. Youngs

Keyword(s):

Transition Metal ◽

Molecular Orbital ◽

Molecular Orbital Theory ◽

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Approximate molecular orbital theory for inorganic molecules

Theoretica Chimica Acta ◽

10.1007/bf00529430 ◽

1970 ◽

Vol 16 (4) ◽

pp. 291-302 ◽

Author(s):

R. D. Brown ◽

K. R. Roby

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Inorganic Molecules

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Molecular Orbital Theory of Diamagnetism. IV. Anisotropic Properties of Benzene

The Journal of Chemical Physics ◽

10.1063/1.1726311 ◽

1964 ◽

Vol 41 (8) ◽

pp. 2559-2560 ◽

Author(s):

J. A. Pople

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Anisotropic Properties

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Molecular Orbital Theory of Hyperconjugation. II. A Note on the Desmotropism of Pyrrole

Journal of the Chinese Chemical Society ◽

10.1002/jccs.195500014 ◽

1955 ◽

Vol 2 (2) ◽

pp. 105-110

Author(s):

Wei-Chuwan Lin

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Theory ◽

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