Joint treatment of ab initio and experimental data in molecular force field calculations with Tikhonov’s method of regularization

1994 ◽  
Vol 100 (2) ◽  
pp. 1414-1424 ◽  
Author(s):  
G. M. Kuramshina ◽  
F. Weinhold ◽  
I. V. Kochikov ◽  
A. G. Yagola ◽  
Yu. A. Pentin
Keyword(s):  
Experimental Data ◽  
Force Field ◽  
Ab Initio ◽  
Force Field Calculations ◽  
Molecular Force ◽  
Method Of Regularization ◽  
Molecular Force Field ◽  
Joint Treatment

PREDICTION OF ROTAMERIC PREFERENCES IN 9-(1-METHOXYETHYL)TRIPTYCENE DERIVATIVES BY MOLECULAR FORCE FIELD CALCULATIONS

1984 ◽  
Vol 13 (5) ◽  
pp. 665-668 ◽  
Author(s):  
Kazuhisa Abe ◽  
Minoru Hirota ◽  
Gaku Yamamoto ◽  
Michnori Oki
Keyword(s):  
Force Field ◽  
Force Field Calculations ◽  
Molecular Force ◽  
Molecular Force Field

Regularizing algorithms for molecular force field calculations

1992 ◽  
Vol 272 ◽  
pp. 13-33 ◽  
Author(s):  
I.V. Kochikov ◽  
G.M. Kuramshina ◽  
Yu.A. Pentin ◽  
A.G. Yagola
Keyword(s):  
Force Field ◽  
Force Field Calculations ◽  
Regularizing Algorithms ◽  
Molecular Force ◽  
Molecular Force Field
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