Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

Subjects

Subjects :

10120 Department of Chemistry
540 Chemistry
2508 Surfaces, Coatings and Films
1606 Physical and Theoretical Chemistry
2505 Materials Chemistry

Details

Language :

English

Database :

OpenAIRE

Accession number :

edsair.doi.dedup.....a98281b1281dd1600fb6fc4b9c627ed1