An ab initio study of the in-plane harmonic force fields and fundamental vibration frequencies of cis- and trans-1,3-butadiene

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(80)90257-x ◽

1980 ◽

Vol 84 (1) ◽

pp. 243-255 ◽

Author(s):

Charles W. Bock ◽

Mendel Trachtman ◽

Philip George

Keyword(s):

Ab Initio ◽

Force Fields ◽

Vibration Frequencies ◽

Ab Initio Study ◽

Harmonic Force ◽

Fundamental Vibration ◽

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ChemInform Abstract: AN AB INITIO STUDY OF THE IN-PLANE HARMONIC FORCE FIELDS AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS- AND TRANS-1,3-BUTADIENE

Chemischer Informationsdienst ◽

10.1002/chin.198117046 ◽

1981 ◽

Vol 12 (17) ◽

Author(s):

C. W. BOCK ◽

M. TRACHTMAN ◽

P. GEORGE

Keyword(s):

Ab Initio ◽

Force Fields ◽

Vibration Frequencies ◽

Ab Initio Study ◽

Harmonic Force ◽

Fundamental Vibration ◽

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ChemInform Abstract: AN AB INITIO STUDY OF THE STRUCTURE, IN-PLANE HARMONIC FORCE FIELD, AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS- AND TRANS-ACROLEIN

Chemischer Informationsdienst ◽

10.1002/chin.198010044 ◽

1980 ◽

Vol 11 (10) ◽

Author(s):

C. W. BOCK ◽

P. GEORGE ◽

M. TRACHTMAN

Keyword(s):

Force Field ◽

Ab Initio ◽

Vibration Frequencies ◽

Ab Initio Study ◽

Harmonic Force ◽

Fundamental Vibration ◽

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An ab initio study of the geometries, anharmonic force fields and fundamental vibration frequencies of cis- and trans-formic acid

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(80)90275-1 ◽

1980 ◽

Vol 80 (1) ◽

pp. 131-144 ◽

Author(s):

Charles W. Bock ◽

Mendel Trachtman ◽

Philip George

Keyword(s):

Formic Acid ◽

Ab Initio ◽

Force Fields ◽

Vibration Frequencies ◽

Ab Initio Study ◽

Fundamental Vibration ◽

Cis And Trans ◽

Anharmonic Force

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ChemInform Abstract: AN AB INITIO INVESTIGATION OF THE HARMONIC FORCE FIELDS AND VIBRATIONAL FREQUENCIES OF ETHYLENE AND CIS- AND TRANS-1,2-DIFLUOROETHYLENE

Chemischer Informationsdienst ◽

10.1002/chin.197941046 ◽

1979 ◽

Vol 10 (41) ◽

Author(s):

C. W. BOCK ◽

P. GEORGE ◽

M. TRACHTMAN

Keyword(s):

Ab Initio ◽

Force Fields ◽

Vibrational Frequencies ◽

Harmonic Force ◽

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An ab initio study of the in-plane harmonic force field and frequencies of cis- and trans-glyoxal

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(79)90004-3 ◽

1979 ◽

Vol 78 (2) ◽

pp. 248-256 ◽

Author(s):

Charles W. Bock ◽

Philip George ◽

Mendel Trachtman

Keyword(s):

Force Field ◽

Ab Initio ◽

Ab Initio Study ◽

Harmonic Force ◽

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ChemInform Abstract: AN AB INITIO STUDY OF THE IN-PLANE HARMONIC FORCE FIELD AND FREQUENCIES OF CIS- AND TRANS-GLYOXAL

Chemischer Informationsdienst ◽

10.1002/chin.198010043 ◽

1980 ◽

Vol 11 (10) ◽

Author(s):

C. W. BOCK ◽

P. GEORGE ◽

M. TRACHTMAN

Keyword(s):

Force Field ◽

Ab Initio ◽

Ab Initio Study ◽

Harmonic Force ◽

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Ab initio study, including electron correlation, of the electronic structures, the dipole moments, the static polarizabilities and of the harmonic force fields of H2CO, H2CS and H2SiO

Theoretica Chimica Acta ◽

10.1007/bf00578340 ◽

1979 ◽

Vol 54 (3) ◽

pp. 205-227 ◽

Author(s):

Ralph Jaquet ◽

Werner Kutzelnigg ◽

Volker Staemmler

Keyword(s):

Ab Initio ◽

Electron Correlation ◽

Electronic Structures ◽

Force Fields ◽

Dipole Moments ◽

Ab Initio Study ◽

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An ab initio investigation of the harmonic force fields and vibrational frequencies of ethylene and cis- and trans-1,2-difluoroethylene

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(79)90227-3 ◽

1979 ◽

Vol 76 (1-3) ◽

pp. 191-203 ◽

Author(s):

Charles W. Bock ◽

Philip George ◽

Mendel Trachtman

Keyword(s):

Ab Initio ◽

Force Fields ◽

Vibrational Frequencies ◽

Harmonic Force ◽

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An ab innitio study of the structure, in-plane harmonic force field, and fundamental vibration frequencies of cis- and trans-acrolein

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(79)90009-2 ◽

1979 ◽

Vol 78 (2) ◽

pp. 298-308 ◽

Author(s):

Charles W. Bock ◽

Philip George ◽

Mendel Trachtman

Keyword(s):

Force Field ◽

Vibration Frequencies ◽

Harmonic Force ◽

Fundamental Vibration ◽

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A rotational spectroscopic and ab initio study of cis and trans (-)-carveol: Further insights into conformational dynamics in monoterpenes and monoterpenoids

Physical Chemistry Chemical Physics ◽

10.1039/d1cp02101j ◽

2021 ◽

Author(s):

Arsh Singh Hazrah ◽

Mohamad al-Jabiri ◽

Raiden Speelman ◽

Wolfgang Jaeger

Keyword(s):

Fourier Transform ◽

Ab Initio ◽

Conformational Dynamics ◽

Ab Initio Study ◽

Chirped Pulse ◽

Rotational Spectra ◽

Microwave Spectrometer ◽

Broadband rotational spectra of cis- and trans- (-) carveol were recorded using a chirped pulse Fourier transform microwave spectrometer in the 2-6 GHz region. To aid in spectroscopic assignments a...

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