Tailoring approach for exploring electron densities and electrostatic potentials of molecular crystals

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 255-263

  Babu, K ^a   Ganesh, V ^a   Gadre, Shridhar R ^a   Ghermani, Nour E ^b  

^a UNIVERSITY OF PUNE   (India)

^b UNIV PARIS SUD   (France)

Author keywords

Electron densities; Electrostatic potentials; Molecular crystals; Molecular tailoring approach

Indexed keywords

AB INITIO CALCULATION; ARTICLE; CRYSTAL; CRYSTAL STRUCTURE; CRYSTALLIZATION; DENSITY; ELECTRIC POTENTIAL; ELECTRON; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; THEORETICAL STUDY;

EID: 2442570694     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0531-6     Document Type: Article

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