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 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 bonding in Mn+-RG complexes and the transport of Mn+ through rare gas (M=Ca, Sr, and Ra; n=1 and 2; and RG=He–Rn)

2010 ◽  
Vol 132 (5) ◽  
pp. 054302 ◽  
Author(s):  
Adrian M. Gardner ◽  
Carolyn D. Withers ◽  
Timothy G. Wright ◽  
Kimberly I. Kaplan ◽  
Chivone Y. N. Chapman ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Rare Gas

Theoretical study of formation rates of rare‐gas halide trimers

1980 ◽  
Vol 36 (2) ◽  
pp. 135-136 ◽  
Author(s):  
Ven H. Shui ◽  
Carolyn Duzy
Keyword(s):  
Theoretical Study ◽  
Rare Gas
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