Structure and Stability of the Al(OH)3 Polymorphs Doyleite and Nordstrandite: A Quantum Mechanical ab Initio Study with the CRYSTAL06 Code

2009 ◽  
Vol 113 (16) ◽  
pp. 6785-6791 ◽  
Author(s):  
Raffaella Demichelis ◽  
Michele Catti ◽  
Roberto Dovesi
Keyword(s):  
Ab Initio ◽  
Quantum Mechanical ◽  
Ab Initio Study ◽  
Structure And Stability

scholarly journals Structure and stability of aluminium trihydroxides bayerite and gibbsite: A quantum mechanical ab initio study with the Crystal06 code

2008 ◽  
Vol 465 (4-6) ◽  
pp. 220-225 ◽  
Author(s):  
Raffaella Demichelis ◽  
Bartolomeo Civalleri ◽  
Yves Noel ◽  
Alessio Meyer ◽  
Roberto Dovesi
Keyword(s):  
Ab Initio ◽  
Quantum Mechanical ◽  
Ab Initio Study ◽  
Structure And Stability

ChemInform Abstract: Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study.

ChemInform ◽  
2010 ◽  
Vol 26 (35) ◽  
pp. no-no
Author(s):  
H. KUDO ◽  
M. HASHIMOTO ◽  
K. YOKOYAMA ◽  
C. H. WU ◽  
A. E. DORIGO ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Structure And Stability ◽  
Abstract Structure

scholarly journals The IR vibrational properties of six members of the garnet family: A quantum mechanical ab initio study

2011 ◽  
Vol 96 (11-12) ◽  
pp. 1787-1798 ◽  
Author(s):  
R. Dovesi ◽  
M. De La Pierre ◽  
A. M. Ferrari ◽  
F. Pascale ◽  
L. Maschio ◽  
...  
Keyword(s):  
Ab Initio ◽  
Quantum Mechanical ◽  
Vibrational Properties ◽  
Ab Initio Study

Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study

1995 ◽  
Vol 99 (17) ◽  
pp. 6477-6482 ◽  
Author(s):  
Hiroshi Kudo ◽  
Masashi Hashimoto ◽  
Keiichi Yokoyama ◽  
C. H. Wu ◽  
Andrea E. Dorigo ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Structure And Stability

Substituent effects on ketene structure and stability: an ab initio study

1991 ◽  
Vol 113 (16) ◽  
pp. 6021-6028 ◽  
Author(s):  
Leyi Gong ◽  
Michael A. McAllister ◽  
Thomas T. Tidwell
Keyword(s):  
Ab Initio ◽  
Substituent Effects ◽  
Ab Initio Study ◽  
Structure And Stability

Structure and Stability of VO2+in Aqueous Solution:  A Car−Parrinello and Static ab Initio Study

2007 ◽  
Vol 46 (12) ◽  
pp. 4835-4843 ◽  
Author(s):  
Aymeric Sadoc ◽  
Sabri Messaoudi ◽  
Eric Furet ◽  
Régis Gautier ◽  
Eric Le Fur ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Structure And Stability
Sign in / Sign up

Export Citation Format

Share Document