Conformational analysis of the core unit of crownophanes by ab initio calculations: 1,1-dibenzylethylene and related compounds

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/b006550l ◽

2000 ◽

pp. 2448-2452 ◽

Cited By ~ 7

Author(s):

Seiji Tsuzuki ◽

Hirohiko Houjou ◽

Yoshinobu Nagawa ◽

Kazuhisa Hiratani

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

The Core ◽

Related Compounds

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Structural and conformational analysis of N-chloro-N-ethylethanamine by gas electron diffraction, ab initio calculations and vibrational spectroscopy

Journal of Molecular Structure ◽

10.1016/0022-2860(93)80252-q ◽

1993 ◽

Vol 291 (1) ◽

pp. 11-22 ◽

Cited By ~ 7

Author(s):

Nobuhiko Kuze ◽

Hiroshi Takeuchi ◽

Toru Egawa ◽

Shigehiro Konaka ◽

Susan Q. Newton ◽

...

Keyword(s):

Electron Diffraction ◽

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Gas Electron Diffraction

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Conformational analysis by combined ab initio and molecular mechanics procedures: ab initio calculations of some ditertiarybutyl-cyclohexanes

Tetrahedron Letters ◽

10.1016/s0040-4039(00)71340-2 ◽

1976 ◽

Vol 17 (39) ◽

pp. 3497-3498 ◽

Cited By ~ 8

Author(s):

M. Askari ◽

D.L. Merrifield ◽

Lothar Schäfer

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Mechanics

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Conformational analysis from low-frequency vibrational data and ab initio calculations for 3-chloropropene

Journal of Molecular Structure ◽

10.1016/0022-2860(89)80085-7 ◽

1989 ◽

Vol 194 ◽

pp. 259-278 ◽

Cited By ~ 27

Author(s):

J.R. Durig ◽

D.T. Durig ◽

M.R. Jalilian ◽

Mengzhang Zhen ◽

T.S. Little

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Low Frequency

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Conformational analysis of dichloromethyl formate by the combined use of infrared and matrix-infrared spectroscopy and ab initio calculations

Physical Chemistry Chemical Physics ◽

10.1039/b306275a ◽

2003 ◽

Vol 5 (18) ◽

pp. 3864-3868

Author(s):

Martti Dahlqvist ◽

Matti Hotokka ◽

Markku Räsänen

Keyword(s):

Infrared Spectroscopy ◽

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Combined Use

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ChemInform Abstract: Conformational Analysis, Barriers to Internal Rotation, Vibrational Assignment, and ab initio Calculations of 1,2-Difluoroethane.

ChemInform ◽

10.1002/chin.199305053 ◽

2010 ◽

Vol 24 (5) ◽

pp. no-no

Author(s):

J. R. DURIG ◽

J. LIU ◽

T. S. LITTLE ◽

V. F. KALASINSKY

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Fourier transform infrared and Raman spectra, vibrational assignment and ab initio calculations of terephthalic acid and related compounds

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(00)00428-5 ◽

2001 ◽

Vol 57 (5) ◽

pp. 993-1007 ◽

Cited By ~ 77

Author(s):

Claudio A Téllez S ◽

Eduardo Hollauer ◽

M.A Mondragon ◽

Victor M Castaño

Keyword(s):

Fourier Transform ◽

Ab Initio Calculations ◽

Ab Initio ◽

Raman Spectra ◽

Terephthalic Acid ◽

Fourier Transform Infrared ◽

Infrared And Raman Spectra ◽

Vibrational Assignment ◽

Related Compounds

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The electronic structure of heteroaromatic molecules; ab initio calculations and photoelectron spectra for the aza derivatives of benzo[c] furan, benzo [c] thiophen, N-methyl isoindole and related compounds

Journal of Molecular Structure ◽

10.1016/0022-2860(78)85027-3 ◽

1978 ◽

Vol 43 (1) ◽

pp. 33-48 ◽

Cited By ~ 39

Author(s):

Micheal H. Palmer ◽

Sheila M.F. Kennedy

Keyword(s):

Electronic Structure ◽

Ab Initio Calculations ◽

Ab Initio ◽

Photoelectron Spectra ◽

Derivatives Of ◽

Related Compounds

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ChemInform Abstract: THE ELECTRONIC STRUCTURE OF HETEROAROMATIC MOLECULES, AB INITIO CALCULATIONS AND PHOTOELECTRON SPECTRA FOR THE AZA DERIVATIVES OF BENZO(C)FURAN, BENZO(C)THIOPHENE, N-METHYLISOINDOLE AND RELATED COMPOUNDS

Chemischer Informationsdienst ◽

10.1002/chin.197818035 ◽

1978 ◽

Vol 9 (18) ◽

Author(s):

M. H. PALMER ◽

S. M. F. KENNEDY

Keyword(s):

Electronic Structure ◽

Ab Initio Calculations ◽

Ab Initio ◽

Photoelectron Spectra ◽

Derivatives Of ◽

Related Compounds

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Infrared and Raman spectra, conformational analysis, barriers to internal rotation, vibrational assignment, and ab initio calculations of trans-1,3-dichloropropene

The Journal of Physical Chemistry ◽

10.1021/j100197a014 ◽

1992 ◽

Vol 96 (18) ◽

pp. 7194-7202 ◽

Cited By ~ 8

Author(s):

J. R. Durig ◽

T. G. Costner ◽

T. S. Little ◽

D. T. Durig

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Raman Spectra ◽

Infrared And Raman Spectra ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Conformational analysis, barriers to internal rotation, ab initio calculations and vibrational assignment of fluoroacetone

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(89)80236-3 ◽

1989 ◽

Vol 45 (12) ◽

pp. 1239-1255 ◽

Cited By ~ 17

Author(s):

J.R. Durig ◽

J.A. Hardin ◽

H.V. Phan ◽

T.S. Little

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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