ChemInform Abstract: Infrared Spectroscopy and ab initio Theory of Isolated H5O+2: From Buckets of Water to the Schroedinger Equation and Back

ChemInform ◽  
2008 ◽  
Vol 39 (16) ◽  
Author(s):  
Gereon Niedner-Schatteburg
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Schroedinger Equation ◽  
Ab Initio Theory

Infrared spectroscopy and ab initio theory of the structural isomers of CO2–HCN

1990 ◽  
Vol 93 (7) ◽  
pp. 4560-4570 ◽  
Author(s):  
D. C. Dayton ◽  
L. G. Pedersen ◽  
R. E. Miller
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Structural Isomers ◽  
Ab Initio Theory

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 Chemisorption of oxygen and aluminum on the GaAs (110) surface from ab initio theory

1980 ◽  
Vol 17 (1) ◽  
pp. 164-168 ◽  
Author(s):  
John J. Barton ◽  
Coenraad A. Swarts ◽  
William A. Goddard ◽  
T. C. McGill
Keyword(s):  
Ab Initio ◽  
Ab Initio Theory
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