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A study on constrained methods for the evaluation of force fields

✍ Scribed by S. Isotani

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
1012 KB
Volume
28
Category
Article
ISSN
0022-2860

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πŸ“œ SIMILAR VOLUMES

On the representation of force fields fo
On the representation of force fields for chemically reacting systems
✍ Ian H. Williams πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 401 KB

Relaxed" force constants ate uniquely defined for systems mvolvmg redundant coordinates, in contradlstmctton to the usual "rlgd" force constants, and thus thcu use allows me3mngful correlallons to be made between force fields calculatcd for rcxtants. tranntion state, and product of a chemical reacti

A COMPARISON OF METHODS FOR EVALUATING T
A COMPARISON OF METHODS FOR EVALUATING TIME-DEPENDENT FLUID DYNAMIC FORCES ON BODIES, USING ONLY VELOCITY FIELDS AND THEIR DERIVATIVES
✍ F. NOCA; D. SHIELS; D. JEON πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 766 KB

We continue with the 1997 work of Noca et al. and o!er some additional closed-form expressions (and their derivations) for the evaluation of time-dependent forces on a body in an incompressible, viscous, and rotational #ow, which require only the knowledge of the velocity "eld (and its derivatives)

Parametrization of a force field for stu
Parametrization of a force field for studying some beta-lactams
✍ Berta FernΓ‘ndez; Miguel A. RΓ­os πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 650 KB

A molecular mechanics force field for studying some beta-lactams was developed from ab initio and experimental data. The optimized parameters allowed accurate calculation of the geometries of both the compounds on which the parametrization was based and others on which the validity of the prediction