Revised basin-hopping monte carlo algorithm for structure optimization of clusters and nanoparticles

Journal of Chemical Information and Modeling

Volumn 53, Issue 9, 2013, Pages 2282-2298

  Rondina, Gustavo G ^a   Da Silva, Juarez L F ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; DENSITY FUNCTIONAL THEORY; GLOBAL OPTIMIZATION; MONTE CARLO METHODS; NANOPARTICLES; POTENTIAL ENERGY; QUANTUM CHEMISTRY; STRUCTURAL OPTIMIZATION;

GLOBAL MINIMUM STRUCTURE; GLOBAL OPTIMIZATION METHOD; LENNARD-JONES CLUSTER; MONTE CARLO ALGORITHMS; MONTE CARLO SAMPLING; STRUCTURE OPTIMIZATION; SUTTON-CHEN POTENTIALS; THEORETICAL INVESTIGATIONS;

CLUSTERING ALGORITHMS;

NANOPARTICLE;

ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MONTE CARLO METHOD; THERMODYNAMICS; ARTICLE;

ALGORITHMS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MONTE CARLO METHOD; NANOPARTICLES; THERMODYNAMICS;

EID: 84884554942     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400224z     Document Type: Article

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