A scaled quantum mechanical force field for the alanine–alanine zwitterions in water based on scale factors for alanine, glycine, N-methylacetamide, acetate, formate, and methylamine

2004 ◽  
Vol 697 (1-3) ◽  
pp. 81-95 ◽  
Author(s):  
Robert W. Williams ◽  
Ian Bone ◽  
Alan F. Weir
Keyword(s):  
Force Field ◽  
Mechanical Force ◽  
Quantum Mechanical ◽  
Scale Factors ◽  
Water Based

Transferability of quantum mechanical force field scale factors between conjugated hydrocarbons

1990 ◽  
Vol 222 (3-4) ◽  
pp. 415-429 ◽  
Author(s):  
Ch.W. Bock ◽  
R. McDiarmid ◽  
Yu.N. Panchenko ◽  
V.I. Pupyshev ◽  
S.V. Krasnoshchiokov
Keyword(s):  
Force Field ◽  
Mechanical Force ◽  
Quantum Mechanical ◽  
Field Scale ◽  
Conjugated Hydrocarbons ◽  
Scale Factors

Towards a quantum mechanical force field for carbohydrates: a reparametrized semi-empirical MO approach

2004 ◽  
Vol 394 (4-6) ◽  
pp. 429-436 ◽  
Author(s):  
Jonathan P. McNamara ◽  
Abdul-Mueed Muslim ◽  
Hoda Abdel-Aal ◽  
Hong Wang ◽  
Matthias Mohr ◽  
...  
Keyword(s):  
Force Field ◽  
Mechanical Force ◽  
Quantum Mechanical ◽  
Semi Empirical

Scaled quantum mechanical force field for alanyl-alanine peptide in solution

Biopolymers ◽  
2001 ◽  
Vol 58 (6) ◽  
pp. 577-591 ◽  
Author(s):  
Alan F. Weir ◽  
Alfred H. Lowrey ◽  
Robert W. Williams
Keyword(s):  
Force Field ◽  
Mechanical Force ◽  
Quantum Mechanical

An application of the DFT-based scaled quantum mechanical force field method to a weakly bonded system: N2O4

1997 ◽  
Vol 280 (5-6) ◽  
pp. 451-458 ◽  
Author(s):  
Attila Kovács ◽  
Konstantin B Borisenko ◽  
Gábor Pongor
Keyword(s):  
Force Field ◽  
Field Method ◽  
Mechanical Force ◽  
Quantum Mechanical
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