semiempirical quantum chemical calculation
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Sparkle/RM1 parameters for the semiempirical quantum chemical calculation of lanthanide complexes

RSC Advances ◽  
2013 ◽  
Vol 3 (37) ◽  
pp. 16747 ◽  
Author(s):  
Manoel A. M. Filho ◽  
José Diogo L. Dutra ◽  
Gerd B. Rocha ◽  
Ricardo O. Freire ◽  
Alfredo M. Simas
Keyword(s):  
Quantum Chemical Calculation ◽  
Quantum Chemical ◽  
Lanthanide Complexes ◽  
Chemical Calculation ◽  
Semiempirical Quantum Chemical Calculation

LocalSCF method for semiempirical quantum-chemical calculation of ultralarge biomolecules

2004 ◽  
Vol 121 (3) ◽  
pp. 1266-1270 ◽  
Author(s):  
N. A. Anikin ◽  
V. M. Anisimov ◽  
V. L. Bugaenko ◽  
V. V. Bobrikov ◽  
A. M. Andreyev
Keyword(s):  
Quantum Chemical Calculation ◽  
Quantum Chemical ◽  
Chemical Calculation ◽  
Semiempirical Quantum Chemical Calculation
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