scholarly journals N2–N2 interaction potential from ab initio calculations, with application to the structure of (N2)2

1980 ◽  
Vol 72 (11) ◽  
pp. 6107-6116 ◽  
Author(s):  
Rut M. Berns ◽  
Ad van der Avoird
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Interaction Potential

Benzene—O2 interaction potential from ab initio calculations

1993 ◽  
Vol 205 (2-3) ◽  
pp. 331-336 ◽  
Author(s):  
Giovanni Granucci ◽  
Maurizio Persico
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Interaction Potential

Atomistic model derived from ab initio calculations tested in Benzene–Benzene interaction potential

2020 ◽  
Vol 537 ◽  
pp. 122679
Author(s):  
Elizane Efigenia de Moraes ◽  
Mariana Zancan Tonel ◽  
Solange Binotto Fagan ◽  
Marcia C. Barbosa
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Interaction Potential ◽  
Atomistic Model

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