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Experimental status of quaternionic quantum mechanics

✍ Scribed by S.P. Brumby; G.C. Joshi


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
512 KB
Volume
7
Category
Article
ISSN
0960-0779

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A general set of procedures for automated parameterization of molecular mechanics force fields is presented. The current implementation for MacroModel force fields can easily be adapted to other programs running under Unix. Several variants of numerical Newton᎐Raphson and simplex methodologies are u