Modified Genetic Algorithm to Model Crystal Structures: III. Determination of Crystal Structures Allowing Simultaneous Molecular Geometry Relaxation

International Journal of Quantum Chemistry

Volumn 96, Issue 4, 2004, Pages 312-320

  Bazterra, Victor E ^a,b   Ferraro, Marta B ^a   Facelli, Julio C ^c  

^a Universidad Nacional de Río Cuarto Consejo Nacional de Investigaciones Científicas y Técnicas   (Argentina)

^b UNIVERSITY OF UTAH   (United States)

^c NONE

Author keywords

Alanine; Crystal structure prediction; Genetic algorithms; Polymorphism

Indexed keywords

ALANINE; CRYSTAL STRUCTURE PREDICTION; POLYMORPHISM;

AMINO ACIDS; BOUNDARY CONDITIONS; CRYSTAL STRUCTURE; CRYSTALLIZATION; GENETIC ALGORITHMS; OPTIMIZATION;

RELAXATION PROCESSES;

EID: 0742287392     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10726     Document Type: Conference Paper

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