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The Lagrange multiplier method for manipulating geometries. Implementation and applications in molecular mechanics

✍ Scribed by B. van de Graaf; J. M. A. Baas

Book ID
102879415
Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
693 KB
Volume
5
Category
Article
ISSN
0192-8651

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✦ Synopsis

Newton-Raphson (NR) minimization. Results are given for constraints on nonbonded distances and torsion *, 2.42; X , 3.76; and 0, 7.73.

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