PM3-SM3: A general parameterization for including aqueous solvation effects in the PM3 molecular orbital model

1992 ◽  
Vol 13 (9) ◽  
pp. 1089-1097 ◽  
Author(s):  
Christopher J. Cramer ◽  
Donald G. Truhlar
Keyword(s):  
Molecular Orbital ◽  
Solvation Effects ◽  
Aqueous Solvation ◽  
Molecular Orbital Model

Molecular Orbital Model for Pyridine/α-Pyridyl Adsorption on Metal Surfaces

2007 ◽  
Vol 111 (14) ◽  
pp. 5493-5496 ◽  
Author(s):  
Travis E. Jones ◽  
Chen Zuo ◽  
Paul W. Jagodzinski ◽  
Mark E. Eberhart
Keyword(s):  
Molecular Orbital ◽  
Metal Surfaces ◽  
Molecular Orbital Model

Extended Hückel molecular orbital model for lanthanide bisphthalocyanine complexes

1995 ◽  
Vol 356 (1) ◽  
pp. 49-62 ◽  
Author(s):  
R. Rousseau ◽  
R. Aroca ◽  
M.L. Rodríguez-Méndez
Keyword(s):  
Molecular Orbital ◽  
Extended Hückel ◽  
Molecular Orbital Model

LOCALIZED MOLECULAR ORBITAL MODEL ——INVESTIGATION OF SOME ORGANIC MOLECULES

1986 ◽  
Vol 2 (03) ◽  
pp. 263-270
Author(s):  
Yang Zhongzhi ◽  
◽  
Yu Hengtai ◽  
Shen Erzhong ◽  
Wang Zhizhong ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Organic Molecules ◽  
Model Investigation ◽  
Molecular Orbital Model
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