Rotamers of Isoprene: Infrared Spectroscopy in Helium Droplets and Ab Initio Thermochemistry

2017 ◽  
Vol 122 (1) ◽  
pp. 148-158 ◽  
Author(s):  
Peter R. Franke ◽  
Gary E. Douberly
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Helium Droplets

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

scholarly journals Infrared Spectroscopy of the Tropyl Radical in Helium Droplets

2016 ◽  
Vol 120 (34) ◽  
pp. 6768-6773 ◽  
Author(s):  
Matin Kaufmann ◽  
Daniel Leicht ◽  
Martina Havenith ◽  
Bernadette M. Broderick ◽  
Gary E. Douberly
Keyword(s):  
Infrared Spectroscopy ◽  
Helium Droplets

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

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

Vapor Phase Infrared Spectroscopy and Ab Initio Fundamental Anharmonic Frequencies of Ammonia Borane

2012 ◽  
Vol 116 (12) ◽  
pp. 3124-3136 ◽  
Author(s):  
Robert L. Sams ◽  
Sotiris S. Xantheas ◽  
Thomas A. Blake
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Vapor Phase ◽  
Ammonia Borane ◽  
Anharmonic Frequencies
Sign in / Sign up

Export Citation Format

Share Document