WebProp: Web interface for ab initio calculation of molecular one-electron properties

Journal of Computational Chemistry

Volumn 29, Issue 3, 2008, Pages 488-495

  Ganesh, V ^a   Kavathekar, Ritwik ^a   Rahalkar, Anuja ^a   Gadre, Shridhar R ^a  

^a UNIVERSITY OF PUNE   (India)

Author keywords

ab initio codes; Electron density; Electron momentum density; Electrostatic potential; Molecular tailoring approach; One electron properties; Topography; Web interface

Indexed keywords

ELECTRON MOMENTUM DENSITY; ELECTROSTATIC POTENTIAL; MOLECULAR TAILORING APPROACHES; ONE ELECTRON PROPERTIES; WEB INTERFACES;

CARRIER CONCENTRATION; CODES (SYMBOLS); DATA VISUALIZATION; ELECTRONS; TOPOGRAPHY;

WEB SERVICES;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; ELECTRON;

COMPUTER SIMULATION; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOFTWARE DESIGN;

EID: 38349104778     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20802     Document Type: Article

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