Locating Cytosine Conical Intersections by Laser Experiments and Ab Initio Calculations

2020 ◽  
Vol 11 (9) ◽  
pp. 3203-3210 ◽  
Author(s):  
Maria A. Trachsel ◽  
Susan Blaser ◽  
Simon Lobsiger ◽  
Luca Siffert ◽  
Hans-Martin Frey ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Conical Intersections ◽  
Laser Experiments

Molecular Structure ofp-Cyclohexylaniline. Comparison of Results Obtained by X-ray Diffraction with Gas Phase Laser Experiments and ab Initio Calculations

2000 ◽  
Vol 104 (49) ◽  
pp. 11593-11600 ◽  
Author(s):  
Christoph Riehn ◽  
Alexander Degen ◽  
Andreas Weichert ◽  
Michael Bolte ◽  
Ernst Egert ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Comparison Of Results ◽  
Laser Experiments

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

Ab Initio Calculations of Defects in CdMnSe Semimagnetic Semiconductors

2020 ◽  
Vol 55 (1) ◽  
pp. 108-113
Author(s):  
M. A. Mehrabova ◽  
H. S. Orujov ◽  
N. H. Hasanov ◽  
A. I. Kazimova ◽  
A. A. Abdullayeva
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Semimagnetic Semiconductors
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