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Journal of Chemical Physics

Volumn 129, Issue 6, 2008, Pages

A gradient-directed Monte Carlo approach to molecular design

(3) Hu, Xiangqian a Beratan, David N a Yang, Weitao a

a DUKE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; BENZENE; CHEMICAL PROPERTIES; GRADIENT METHODS; MONTE CARLO METHODS; NITROGEN; NONMETALS; OPTICAL PROPERTIES; OPTIMIZATION; PHOTORESISTS; PORPHYRINS; SEMICONDUCTING CADMIUM TELLURIDE;

ATOMIC POTENTIALS; CHEMICAL SPACE; CONTINUOUS OPTIMIZATION; DONOR ACCEPTORS; FIRST HYPERPOLARIZABILITY; LINEAR COMBINATION; LOCAL GRADIENTS; LOCAL OPTIMUM; MOLECULAR DESIGNS; MOLECULAR SPACE; MONTE CARLO; MONTE CARLO APPROACH; NITROGEN ATOMS; NON-LINEAR OPTICAL PROPERTIES; OPTIMIZATION METHODS; SUBSTITUTED BENZENES;

ERROR ANALYSIS;

EID: 49749108601 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2958255 Document Type: Article

Times cited : (40)

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