The structure of the water trimer from ab initio calculations

1993 ◽  
Vol 98 (10) ◽  
pp. 8037-8040 ◽  
Author(s):  
Sotiris S. Xantheas ◽  
Thom H. Dunning
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Water Trimer

Ab initio calculations on the geometry and OH vibrational frequency shift of cyclic water trimer

1993 ◽  
Vol 175 (2-3) ◽  
pp. 271-281 ◽  
Author(s):  
Jeanne G.C.M. van Duijneveldt-van de Rijdt ◽  
Frans B. van Duijneveldt
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Frequency Shift ◽  
Vibrational Frequency ◽  
Water Trimer

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
Sign in / Sign up

Export Citation Format

Share Document