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

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 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 ◽  
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Keyword(s):  
Ab Initio ◽  
Infrared Spectra ◽  
Ab Initio Study

Matrix Isolation and ab Initio Study of the Hydrogen-Bonded Complex between H2O2and (CH3)2O

2000 ◽  
Vol 104 (10) ◽  
pp. 2033-2037 ◽  
Author(s):  
James Goebel ◽  
Bruce S. Ault ◽  
Janet E. Del Bene
Keyword(s):  
Ab Initio ◽  
Matrix Isolation ◽  
Ab Initio Study ◽  
Hydrogen Bonded

An ab initio study of the hydrogen-bonded H2O:HCN and HCN:H2O isomers

2000 ◽  
Vol 322 (3-4) ◽  
pp. 207-212 ◽  
Author(s):  
Roberto Rivelino ◽  
Sylvio Canuto
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Hydrogen Bonded

Ab initio study of van der Waals and hydrogen-bonded molecular crystals with a periodic local-MP2 method

CrystEngComm ◽  
2010 ◽  
Vol 12 (8) ◽  
pp. 2429 ◽  
Author(s):  
Lorenzo Maschio ◽  
Denis Usvyat ◽  
Bartolomeo Civalleri
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Molecular Crystals ◽  
Ab Initio Study ◽  
Mp2 Method ◽  
Hydrogen Bonded
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