A combination of empirical force field and extended Hueckel molecular orbital calculations as a computational approach to conformational analysis

1979 ◽  
Vol 101 (6) ◽  
pp. 1401-1405 ◽  
Author(s):  
Dennis A. Dougherty ◽  
Kurt Mislow
Keyword(s):  
Conformational Analysis ◽  
Force Field ◽  
Molecular Orbital ◽  
Computational Approach ◽  
Molecular Orbital Calculations ◽  
Empirical Force Field

Conformational analysis of aminovinylpyrazine by semiempirical molecular orbital calculations

1997 ◽  
Vol 33 (1) ◽  
pp. 33-39 ◽  
Author(s):  
Hisayoshi Shiozaki ◽  
Atsushi Oshida ◽  
Dongfeng Hou ◽  
Masaru Matsuoka
Keyword(s):  
Conformational Analysis ◽  
Molecular Orbital ◽  
Molecular Orbital Calculations ◽  
Semiempirical Molecular Orbital

Empirical force field calculations. 10. Conformational analysis of cis-decalin

1981 ◽  
Vol 103 (17) ◽  
pp. 5014-5021 ◽  
Author(s):  
Jan M. A. Baas ◽  
Bastiaan Van de Graaf ◽  
Dirk Tavernier ◽  
Paul Vanhee
Keyword(s):  
Conformational Analysis ◽  
Force Field ◽  
Force Field Calculations ◽  
Empirical Force Field ◽  
Empirical Force Field Calculations
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