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

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

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

Solvent-Induced Frequency Shifts of 5-Hydroxymethylfurfural Deduced via Infrared Spectroscopy and ab Initio Calculations

2014 ◽  
Vol 118 (51) ◽  
pp. 12149-12160 ◽  
Author(s):  
Tyler R. Josephson ◽  
George Tsilomelekis ◽  
Christina Bagia ◽  
Vladimiros Nikolakis ◽  
Dionisios G. Vlachos ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Frequency Shifts

Gas-phase detection of the FCO2 radical by millimeter wave and high resolution infrared spectroscopy assisted by ab initio calculations

2003 ◽  
Vol 118 (3) ◽  
pp. 1214-1220 ◽  
Author(s):  
Zdeněk Zelinger ◽  
Pascal Dréan ◽  
Adam Walters ◽  
Juan Ramon Avilès Moreno ◽  
Marcel Bogey ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Millimeter Wave ◽  
Phase Detection

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

1989 ◽  
Vol 194 ◽  
pp. 259-278 ◽  
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
Sign in / Sign up

Export Citation Format

Share Document