Isobaric?isothermal molecular dynamics simulations utilizing density functional theory: an assessment of the structure and density of water at near-ambient conditions

Subjects

Subjects :

Molecular dynamics -- Usage
Density functionals -- Research
Water -- Structure
Water -- Properties
Water -- Research
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

15206106

Volume :

113

Issue :

35

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry B

Publication Type :

Academic Journal

Accession number :

edsgcl.207437387