Open AccessControlling relative polymorph stability in soft porous crystals with a barostat
Author(s) -
Nathan A. Mahynski,
Vincent K. Shen
Publication year - 2017
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4983616
Subject(s) - thermodynamics , thermodynamic integration , porosity , materials science , crystal (programming language) , ambient pressure , chemical stability , adsorption , chemistry , molecular dynamics , composite material , physics , computational chemistry , computer science , programming language