Water binding sites in 2-para- and 2-ortho-fluorophenylethanol: A high-resolution UV experiment and ab initio calculations

2010 ◽  
Vol 133 (19) ◽  
pp. 194301 ◽  
Author(s):  
R. Karaminkov ◽  
S. Chervenkov ◽  
H. J. Neusser
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Binding Sites ◽  
Water Binding

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

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

Millimeter-Wave Spectroscopy, High-Resolution Infrared Spectrum, ab Initio Calculations, and Molecular Geometry of FPS

2001 ◽  
Vol 210 (2) ◽  
pp. 213-223 ◽  
Author(s):  
Helmut Beckers ◽  
Marcel Bogey ◽  
Jürgen Breidung ◽  
Hans Bürger ◽  
Jean Demaison ◽  
...  
Keyword(s):  
High Resolution ◽  
Infrared Spectrum ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Millimeter Wave ◽  
Molecular Geometry ◽  
Millimeter Wave Spectroscopy

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
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