Polarized Raman and Infrared Spectroscopy and ab Initio Calculation of Palmitic and Stearic Acids in the Bm and C Forms

2017 ◽  
Vol 121 (25) ◽  
pp. 4830-4842 ◽  
Author(s):  
L. F. L. da Silva ◽  
T. Andrade-Filho ◽  
P. T. C. Freire ◽  
J. Mendes Filho ◽  
J. G. da Silva Filho ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Raman And Infrared Spectroscopy ◽  
Polarized Raman

Force fields of allylamine conformers as studied by an ab initio calculation and infrared spectroscopy

1985 ◽  
Vol 126 ◽  
pp. 305-320 ◽  
Author(s):  
Kaoru Yamanouchi ◽  
Takahiro Matsuzawa ◽  
Kozo Kuchitsu ◽  
Yoshiaki Hamada ◽  
Masamichi Tsuboi
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Force Fields

Inversion and torsional motions of methylhydrazine studied by microwave and far-infrared spectroscopy and ab initio calculation

1989 ◽  
Vol 194 ◽  
pp. 301-316 ◽  
Author(s):  
Norio Murase ◽  
Kaoru Yamanouchi ◽  
Masaaki Sugie ◽  
Harutoshi Takeo ◽  
Chi Matsumura ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Far Infrared ◽  
Far Infrared Spectroscopy

Isomeric structures of CH3I dimers in a supersonic jet studied by matrix-isolation infrared spectroscopy and ab initio calculation

2001 ◽  
Vol 343 (1-2) ◽  
pp. 185-191 ◽  
Author(s):  
Fumiyuki Ito ◽  
Taisuke Nakanaga ◽  
Yoshisuke Futami ◽  
Satoshi Kudoh ◽  
Masao Takayanagi ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Matrix Isolation ◽  
Supersonic Jet ◽  
Isomeric Structures

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

Ab initio calculation of the phonon dispersion curve for lithium

1985 ◽  
Vol 46 (12) ◽  
pp. 2197-2202 ◽  
Author(s):  
G.J. Vázquez ◽  
L.F. Magaña
Keyword(s):  
Ab Initio ◽  
Dispersion Curve ◽  
Ab Initio Calculation ◽  
Phonon Dispersion ◽  
Phonon Dispersion Curve

AN AB-INITIO CALCULATION FOR PRESSURE SHIFTS OF OPTICAL ABSORPTION BANDS IN Fe2+ - BEARING GARNETS

1984 ◽  
Vol 45 (C8) ◽  
pp. C8-93-C8-96
Author(s):  
Shen Guo-yin ◽  
Zhao Min-guang
Keyword(s):  
Optical Absorption ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Absorption Bands
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