✦ LIBER ✦

Pattern recognition in molecular dynamics

✍ Scribed by Wojciech H. Zurek; William C. Schieve

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 442 KB
Volume: 13
Category: Article
ISSN: 0010-4655
DOI: 10.1016/0010-4655(77)90032-7

No coin nor oath required. For personal study only.

✦ Synopsis

An alg~orithm for the recognition of the formation of bound molecular states in the computer simulation of a dilule ga~ L~ pre.*.enled. Apptication~ to various related problems in physics and che;aistr y are pointed out. Data structure and ded~m proce~e~ are described. Performar, ce of the FORTRAN program based ( n tl;e algorithm ir~ cooperation with the molecuk~r dynamic~ program is oescribeA and the results are presented.

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