Ab initio calculations of a new type of tubular carbon molecule based on multi-layered cyclic C6 structures

2010 ◽  
Vol 374 (11-12) ◽  
pp. 1374-1378 ◽  
Author(s):  
Stanislav Kuzmin ◽  
Walter W. Duley
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
New Type ◽  
Carbon Molecule

X-ray Crystal Structure, ab Initio Calculations, and Reactivity of 1,3,2λ5-Diazaphosphetes:  A New Type of 4-π-Electron 4-Membered Heterocycle

1996 ◽  
Vol 35 (9) ◽  
pp. 2458-2462 ◽  
Author(s):  
Gilles Alcaraz ◽  
Antoine Baceiredo ◽  
Martin Nieger ◽  
Wolfgang W. Schoeller ◽  
Guy Bertrand
Keyword(s):  
Crystal Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
X Ray ◽  
New Type ◽  
Membered Heterocycle

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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