Experimental and ab initio study of the infrared spectra of ionic species derived from SF6 and SF4 and trapped in solid neon

1998 ◽  
Vol 108 (23) ◽  
pp. 9639-9650 ◽  
Author(s):  
Catherine L. Lugez ◽  
Marilyn E. Jacox ◽  
Rollin A. King ◽  
H. F. Schaefer
Keyword(s):  
Ab Initio ◽  
Infrared Spectra ◽  
Ionic Species ◽  
Ab Initio Study

Infrared spectra of the C[sub 2]H[sub 2]–HCl complexes: An experimental and ab initio study

2000 ◽  
Vol 113 (12) ◽  
pp. 4876 ◽  
Author(s):  
P. Çarçabal ◽  
M. Broquier ◽  
M. Chevalier ◽  
A. Picard-Bersellini ◽  
V. Brenner ◽  
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Keyword(s):  
Ab Initio ◽  
Infrared Spectra ◽  
Ab Initio Study

Ab initio study of the infrared spectra of linear Cn clusters (n=6–9)

1990 ◽  
Vol 93 (12) ◽  
pp. 8850-8861 ◽  
Author(s):  
J. M. L. Martin ◽  
J. P. François ◽  
R. Gijbels
Keyword(s):  
Ab Initio ◽  
Infrared Spectra ◽  
Ab Initio Study

Infrared Spectra of Hydrogen-Bonded Ionic Crystals:  Ab Initio Study of Mg(OH)2and β-Be(OH)2

2004 ◽  
Vol 108 (36) ◽  
pp. 13632-13637 ◽  
Author(s):  
Piero Ugliengo ◽  
Fabien Pascale ◽  
Mohammadou Mérawa ◽  
Pierre Labéguerie ◽  
Sergio Tosoni ◽  
...  
Keyword(s):  
Ab Initio ◽  
Infrared Spectra ◽  
Ionic Crystals ◽  
Ab Initio Study ◽  
Hydrogen Bonded

Infrared Spectra of Hydrogen-Bonded Ionic Crystals: Ab initio Study of Mg(OH)2 and β-Be(OH)2.

ChemInform ◽  
2004 ◽  
Vol 35 (45) ◽  
Author(s):  
Piero Ugliengo ◽  
Fabien Pascale ◽  
Mohammadou Merawa ◽  
Pierre Labeguerie ◽  
Sergio Tosoni ◽  
...  
Keyword(s):  
Ab Initio ◽  
Infrared Spectra ◽  
Ionic Crystals ◽  
Ab Initio Study ◽  
Hydrogen Bonded

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study
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