Computational studies of load-dependent guest dynamics and free energies of inclusion for C[O.sub.2] in low-density p-tert-butylcalix[4]arene at loadings up to 2:1

Subjects

Subjects :

Carbon dioxide -- Chemical properties
Carbon dioxide -- Thermal properties
Molecular dynamics -- Usage
Calixarenes -- Thermal properties
Calixarenes -- Chemical properties
Calixarenes -- Structure
Tertiary butyl compounds -- Structure
Tertiary butyl compounds -- Chemical properties
Tertiary butyl compounds -- Thermal properties
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

10895639

Volume :

113

Issue :

14

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry A

Publication Type :

Academic Journal

Accession number :

edsgcl.202394788