Ab initio configuration interaction study of the metal-metal coupling in some zirconium(III) and titanium(III) dimers. Evidence for a superlong Zr-Zr bond in [Cp2Zr(.mu.-PR2)]2 and related complexes

1992 ◽  
Vol 114 (12) ◽  
pp. 4785-4790 ◽  
Author(s):  
Marc Benard ◽  
Marie Madeleine Rohmer
Keyword(s):  
Ab Initio ◽  
Configuration Interaction ◽  
Interaction Study ◽  
Metal Metal

Combined Experimental and Ab Initio Multireference Configuration Interaction Study of the Resonant Inelastic X-ray Scattering Spectrum of CO2

2014 ◽  
Vol 118 (35) ◽  
pp. 20163-20175 ◽  
Author(s):  
Dimitrios Maganas ◽  
Paw Kristiansen ◽  
Laurent-Claudius Duda ◽  
Axel Knop-Gericke ◽  
Serena DeBeer ◽  
...  
Keyword(s):  
Ab Initio ◽  
Configuration Interaction ◽  
Interaction Study ◽  
X Ray ◽  
X Ray Scattering ◽  
Scattering Spectrum ◽  
Ray Scattering

ChemInform Abstract: Ab initio Configuration Interaction Study of Mixed BeLik Clusters (k = 1-9)

ChemInform ◽  
1989 ◽  
Vol 20 (7) ◽  
Author(s):  
W. PEWESTORF ◽  
V. BONACIC-KOUTECKY ◽  
J. KOUTECKY
Keyword(s):  
Ab Initio ◽  
Configuration Interaction ◽  
Interaction Study

Ab initio multireference configuration interaction study of CH2NNO2. HONO elimination vs NN bond fragmentation

1990 ◽  
Vol 93 (3) ◽  
pp. 1857-1864 ◽  
Author(s):  
R. C. Mowrey ◽  
M. Page ◽  
G. F. Adams ◽  
B. H. Lengsfield
Keyword(s):  
Ab Initio ◽  
Configuration Interaction ◽  
Interaction Study
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