High resolution infrared spectroscopy and ab initio calculations of HCN–H2/D2 binary complexes

2001 ◽  
Vol 115 (11) ◽  
pp. 5137-5143 ◽  
Author(s):  
D. T. Moore ◽  
M. Ishiguro ◽  
L. Oudejans ◽  
R. E. Miller
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Binary Complexes

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

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

Inversion Motion and S1Equilibrium Geometry of 4-Fluoroaniline:  Molecular Beam High-Resolution Spectroscopy and ab Initio Calculations

1999 ◽  
Vol 103 (45) ◽  
pp. 8946-8951 ◽  
Author(s):  
M. Becucci ◽  
E. Castellucci ◽  
I. López-Tocón ◽  
G. Pietraperzia ◽  
P. R. Salvi ◽  
...  
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Molecular Beam ◽  
High Resolution Spectroscopy

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
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