Energetics of Metal−Ligand Multiple Bonds. A Combined Solution Thermochemical and ab Initio Quantum Chemical Study of MO Bonding in Group 6 Metallocene Oxo Complexes

1998 ◽  
Vol 120 (13) ◽  
pp. 3111-3122 ◽  
Author(s):  
Lubin Luo ◽  
Giuseppe Lanza ◽  
Ignazio L. Fragalà ◽  
Charlotte L. Stern ◽  
Tobin J. Marks
Keyword(s):  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Multiple Bonds ◽  
Oxo Complexes ◽  
Group 6 ◽  
Combined Solution ◽  
Metal Ligand

AB initio quantum chemical study of the reaction mechanism of ethynide ion formation in the C2H2/MOH/DMSO system (M = Li, Na, K)

2009 ◽  
Vol 50 (1) ◽  
pp. 27-33 ◽  
Author(s):  
E. Yu. Larionova ◽  
N. M. Vitkovskaya ◽  
V. B. Kobychev ◽  
N. V. Kaempf ◽  
A. D. Skitnevskaya ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Ion Formation ◽  
Dmso System

Ab initio quantum-chemical study on drug decomposition in solid state preparations

1984 ◽  
Vol 109 (3-4) ◽  
pp. 177-193 ◽  
Author(s):  
P. Ruelle ◽  
Hô Nam-Tran ◽  
M. Buchmann ◽  
U.W. Kesselring
Keyword(s):  
Solid State ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study
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