Electronic structure and driving forces in α-cyclodextrin:butylparaben inclusion complexes

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 372, Issue 23, 2008, Pages 4257-4262

  Bogdan, Diana ^a  

^a NATIONAL INSTITUTE FOR RESEARCH AND DEVELOPMENT OF ISOTOPIC AND MOLECULAR TECHNOLOGIES   (Romania)

Author keywords

Butylparaben; DFT; Electronic structure; Molecular dynamics; Morokuma Kitaura energy decomposition; cyclodextrin

Indexed keywords

BUTYLPARABEN; CYCLODEXTRINS; MOLECULAR DYNAMICS;

BOND ENERGIES; DRIVING FORCES; EFFECT OF SOLVENTS; ENERGY DECOMPOSITION; HARTREE-FOCK CALCULATIONS; INCLUSION COMPLEX;

ELECTRONIC STRUCTURE;

EID: 43649103266     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2008.03.046     Document Type: Article

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