Investigation on the inclusions of PCB52 with cyclodextrins by performing DFT calculations and molecular dynamics simulations

Subjects

Subjects :

Molecular dynamics -- Analysis
Cyclodextrins -- Chemical properties
Density functionals -- Analysis
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

10895639

Volume :

114

Issue :

50

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry A

Publication Type :

Academic Journal

Accession number :

edsgcl.249936839