Molecular tailoring approach: A route for ab initio treatment of large clusters

Chemical Reviews

Volumn 47, Issue 9, 2014, Pages 2739-2747

  Sahu, Nityananda ^a   Gadre, Shridhar R ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AGGREGATES; ATMOSPHERIC CHEMISTRY; AUTOMATIC GUIDED VEHICLES; CALCULATIONS; COMPUTATION THEORY; COMPUTER HARDWARE; ELECTROSTATICS; ERRORS; GRAFTING (CHEMICAL); MOLECULAR ORBITALS; NUMERICAL METHODS; PHOTOELECTRON SPECTROSCOPY; PHYSICOCHEMICAL PROPERTIES;

AB INITIO CALCULATIONS; COMPUTATIONAL RESOURCES; DISPERSION-CORRECTED DENSITY FUNCTIONAL; ENVIRONMENTAL CHEMISTRY; EXPERIMENTAL TECHNIQUES; FRAGMENT MOLECULAR ORBITAL; FRAGMENT-BASED METHODS; MOLECULAR TAILORING APPROACHES;

DENSITY FUNCTIONAL THEORY;

EID: 84918575250     PISSN: 00092665     EISSN: 15206890     Source Type: Journal    
DOI: 10.1021/ar500079b     Document Type: Article

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