ChemInform Abstract: Molecular Structure and Ionization Energies of Azides: An ab initio Study of Hydrazoic Acid, Methyl Azide and Ethyl Azide.

10.1002/chin.199337053 ◽

2010 ◽

Vol 24 (37) ◽

pp. no-no

Author(s):

B. J. COSTA CABRAL ◽

M. L. COSTA ◽

M. A. ALMOSTER FERREIRA

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Hydrazoic Acid ◽

Ab Initio Study ◽

Ionization Energies ◽

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Molecular structure and ionization energies of azides: an ab initio study of hydrazoic acid, methyl azide and ethyl azide

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(93)87074-n ◽

1993 ◽

Vol 281 (2-3) ◽

pp. 185-193 ◽

Author(s):

B.J.Costa Cabral ◽

M.L. Costa ◽

M.A.Almoster Ferreira

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Hydrazoic Acid ◽

Ab Initio Study ◽

Ionization Energies ◽

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Ab initio Study on Ionization Energies of 3-Amino-1-propanol

Chinese Journal of Chemical Physics ◽

10.1088/1674-0068/24/03/315-318 ◽

2011 ◽

Vol 24 (3) ◽

pp. 315-318 ◽

Author(s):

Ke-dong Wang ◽

Ying-bin Jia ◽

Zhen-jiang Lai ◽

Yu-fang Liu

Keyword(s):

Ab Initio ◽

Ab Initio Study ◽

Ionization Energies

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ChemInform Abstract: Ab initio Study of the Molecular Structure and NMR Carbon-Lithium Coupling Constant for Trichloromethyllithium.

10.1002/chin.199523020 ◽

2010 ◽

Vol 26 (23) ◽

pp. no-no

Author(s):

T. KOIZUMI ◽

O. KIKUCHI

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Ab Initio Study ◽

Coupling Constant

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An ab initio study of many isomers of S2O2. A combined theoretical and experimental analysis of the harmonic force field and molecular structure of cis-planar OSSO

Chemical Physics ◽

10.1016/0301-0104(90)87068-m ◽

1990 ◽

Vol 141 (2-3) ◽

pp. 335-353 ◽

Author(s):

Colin J. Marsden ◽

Brian J. Smith

Keyword(s):

Molecular Structure ◽

Force Field ◽

Ab Initio ◽

Experimental Analysis ◽

Ab Initio Study ◽

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Ab initio study of molecular structure and hyperfine coupling constants of 1,3,5-cycloheptatriene radical cation

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00270-4 ◽

1998 ◽

Vol 428 (1-3) ◽

pp. 143-148 ◽

Author(s):

Yuichi Inadomi ◽

Kenji Morihashi ◽

Osamu Kikuchi

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Radical Cation ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Ab Initio Study ◽

Hyperfine Coupling Constants

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ChemInform Abstract: An ab initio Study of the Molecular Structure and Vibration-Rotation Spectrum of the Triplet Radical HCCN.

10.1002/chin.198823119 ◽

1988 ◽

Vol 19 (23) ◽

Author(s):

P.-A. MALMQUIST ◽

R. LINDH ◽

B. O. ROOS ◽

S. ROSS

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Ab Initio Study ◽

Vibration Rotation ◽

Rotation Spectrum

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An ab initio study on the geometries and vibrational frequencies of hydrazoic acid and methyl azide

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00268-6 ◽

1998 ◽

Vol 434 (1-3) ◽

pp. 1-5 ◽

Author(s):

Wang Zhizhong

Keyword(s):

Ab Initio ◽

Vibrational Frequencies ◽

Hydrazoic Acid ◽

Ab Initio Study

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ChemInform Abstract: Balancing Steric and Electronic Factors in Push-Pull Benzenes: An ab initio Study on the Molecular Structure of 1,3,5-Triamino-2,4,6- trinitrobenzene and Related Compounds.

10.1002/chin.199408059 ◽

2010 ◽

Vol 25 (8) ◽

pp. no-no

Author(s):

K. K. BALDRIDGE ◽

J. S. SIEGEL

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Ab Initio Study ◽

Related Compounds

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ChemInform Abstract: 1,2-Dichlorotetrafluorocyclobutene: Gas-Phase Molecular Structure and Quadratic Force Field from an Electron-Diffraction and ab initio Study.

10.1002/chin.199039052 ◽

1990 ◽

Vol 21 (39) ◽

Author(s):

H. THOMASSEN ◽

K. HEDBERG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Quadratic Force Field

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Electron correlation and the lone pair effect in the phosphorous and arsenious acids: ab initio study of molecular structure and DFT calculations of 31P NMR spectra

Chemical Physics Letters ◽

10.1016/s0009-2614(03)01010-8 ◽

2003 ◽

Vol 376 (3-4) ◽

pp. 364-369 ◽

Author(s):

S.G Kozlova ◽

S.P Gabuda ◽

Robert Blinc

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Ab Initio ◽

Electron Correlation ◽

Nmr Spectra ◽

31P Nmr ◽

Lone Pair ◽

Ab Initio Study ◽

31P Nmr Spectra

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