Molecular tailoring approach for exploring structures, energetics and properties of clusters

Journal of Chemical Sciences

Volumn 122, Issue 1, 2010, Pages 47-56

  Gadre, Shridhar R ^a   Jovan Jose, K V ^a   Rahalkar, Anuja P ^a  

^a UNIVERSITY OF PUNE   (India)

Author keywords

Density functional theory (DFT); Hartree Fock (HF) method; Linear scaling methods; Molecular clusters; Molecular electron density (MED); Molecular electrostatic potential; Molecular tailoring approach (MTA); M ller Plesset second order (MP2) method

Indexed keywords

CALCULATIONS; DESIGN FOR TESTABILITY; ELECTROSTATICS; GEOMETRY; IONIZATION POTENTIAL; MOLECULAR INTERACTIONS; MOLECULAR PHYSICS; PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY;

HARTREE-FOCK METHODS; LINEAR SCALING METHOD; MOLECULAR CLUSTERS; MOLECULAR ELECTRON DENSITY; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR TAILORING APPROACHES; SECOND ORDERS;

DENSITY FUNCTIONAL THEORY;

EID: 75449094427     PISSN: 09743626     EISSN: 09737103     Source Type: Journal    
DOI: 10.1007/s12039-010-0004-0     Document Type: Conference Paper

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