Theoretical study of C60O2 molecular properties

1997 ◽  
Vol 392 (1) ◽  
pp. 217-221 ◽  
Author(s):  
S Zhenfeng
Keyword(s):  
Theoretical Study ◽  
Molecular Properties

Theoretical study by gaussian of some molecular properties of the benzodiazepine derivatives

2007 ◽  
Author(s):  
S. Abirou ◽  
A. El Assyry ◽  
B. Benali ◽  
Z. Lazar ◽  
A. Boucetta ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Molecular Properties ◽  
Benzodiazepine Derivatives

Theoretical study on the electronic and molecular properties of ground and excited states of ethylenedioxythiophene and styrenesulphonic acid

2005 ◽  
Vol 244 (1-4) ◽  
pp. 195-198 ◽  
Author(s):  
Govindasamy Agalya ◽  
Chen Lv ◽  
Xiaojing Wang ◽  
Michihisa Koyama ◽  
Momoji Kubo ◽  
...  
Keyword(s):  
Excited States ◽  
Theoretical Study ◽  
Molecular Properties

Theoretical study on the interaction of CO2 and H2O molecules with metal doped-fluorinated phthalocyanines

2018 ◽  
Vol 42 (5) ◽  
pp. 3465-3472 ◽  
Author(s):  
Agnes Lincy Arokiyanathan ◽  
Senthilkumar Lakshmipathi
Keyword(s):  
Theoretical Study ◽  
Molecular Properties ◽  
Dft Studies ◽  
Metal Doped

This investigation reports the molecular properties of metal (M = Mg, Sc, Cu, Zn) doped-fluorinated phthalocyanines (M-FPcs) and their ability to separate and capture CO2 in the presence of H2O using DFT studies.

Theoretical study of the molecular properties of methyl 2-azidopropionate and methyl 3-azidopropionate

2009 ◽  
Vol 894 (1-3) ◽  
pp. 80-87 ◽  
Author(s):  
R.M. Pinto ◽  
A.A. Dias ◽  
M.L. Costa
Keyword(s):  
Theoretical Study ◽  
Molecular Properties

Theoretical study of spectroscopic constants and molecular properties of rare-gas diatomic cations

2007 ◽  
Vol 107 (5) ◽  
pp. 1067-1072 ◽  
Author(s):  
N. C. Bera ◽  
I. Bhattacharyya ◽  
A. K. Das
Keyword(s):  
Theoretical Study ◽  
Molecular Properties ◽  
Spectroscopic Constants ◽  
Rare Gas

Theoretical study of molecular properties of low-lying electronic excited states of H2O and H2S

2008 ◽  
Vol 106 (20) ◽  
pp. 2333-2344 ◽  
Author(s):  
Jana Páleníková ◽  
Michal Kraus ◽  
Pavel Neogrády ◽  
Vladimir Kellö ◽  
Miroslav Urban
Keyword(s):  
Excited States ◽  
Theoretical Study ◽  
Molecular Properties ◽  
Electronic Excited States

The dipole moment and molecular properties of CaH: A theoretical study

2006 ◽  
Vol 426 (4-6) ◽  
pp. 252-256 ◽  
Author(s):  
Filip Holka ◽  
Miroslav Urban
Keyword(s):  
Dipole Moment ◽  
Theoretical Study ◽  
Molecular Properties

Theoretical study of the molecular properties and the formation kinetics of the FS(O2)OCO radical

2010 ◽  
Vol 490 (4-6) ◽  
pp. 127-131 ◽  
Author(s):  
M.E. Tucceri ◽  
L.B. Bracco ◽  
C.J. Cobos
Keyword(s):  
Theoretical Study ◽  
Molecular Properties ◽  
Formation Kinetics ◽  
Kinetics Of

Theoretical study of 1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene: molecular properties and spectral characteristics

2009 ◽  
Vol 15 (8) ◽  
pp. 935-943 ◽  
Author(s):  
Maciej Szaleniec ◽  
Renata Tokarz-Sobieraj ◽  
Wacław Witko
Keyword(s):  
Theoretical Study ◽  
Spectral Characteristics ◽  
Molecular Properties
Sign in / Sign up

Export Citation Format

Share Document