Spectra and structure of organophosphorus compounds: XLIX. Microwave, infrared, and Raman spectra, electric dipole moment, molecular structure, and ab initio calculations of dimethylphosphonothioic fluoride

1994 ◽  
Vol 5 (4) ◽  
pp. 239-253 ◽  
Author(s):  
K. K. Chatterjee ◽  
J. R. Durig
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Organophosphorus Compounds ◽  
Infrared And Raman Spectra

Electric (Hyper) Polarizability of the Hypofluorous Acid (HOF) from High-Level ab initio Calculations with Especially Designed Purpose-Oriented Basis Sets

2016 ◽  
Vol 230 (5-7) ◽  
Author(s):  
George Maroulis
Keyword(s):  
Dipole Moment ◽  
Finite Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Basis Sets ◽  
High Level

AbstractThe electric dipole moment, polarizability, first and second dipole hyperpolarizability of HOF were determined via finite-field calculations with

Infrared and Raman Spectra, conformations,ab initio calculations and spectral assignments of 1,3-disilabutane (SiH3CH2SiH2CH3)

2007 ◽  
Vol 38 (9) ◽  
pp. 1159-1173 ◽  
Author(s):  
Gamil A. Guirgis ◽  
Paul M. Mazzone ◽  
Daniel N. Pasko ◽  
Peter Klaeboe ◽  
Anne Horn ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Infrared And Raman Spectra

Infrared and Raman spectra, vibrational assignment, and ab initio calculations of fluoromalononitrile

1997 ◽  
Vol 53 (12) ◽  
pp. 2001-2012 ◽  
Author(s):  
M. Dakkouri ◽  
A. Grunvogel-Hurst ◽  
Gamil A. Guirgis ◽  
Zhenhong Yu ◽  
Yanping Jin ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment

Microwave Spectra, Molecular Structure, and Electric Dipole Moment of 1,2-Dithiin

1996 ◽  
Vol 180 (1) ◽  
pp. 139-144 ◽  
Author(s):  
J.Z. Gillies ◽  
C.W. Gillies ◽  
E.A. Cotter ◽  
E. Block ◽  
R. DeOrazio
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Microwave Spectra
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