Rapid Compression Machine Lab

State Key Laboratory of Automotive Safety and Energy | Center For Combustion Energy

An adaptive distance-based group contribution method for thermodynamic property prediction

Journal Physical Chemistry Chemical Physics
Download full-text
A new distance-based group contribution method that describes intramolecular interactions systematically is developed to calculate thermodynamic properties accurately and efficiently.

  • Volume 18
  • Issue 34
  • Pages 23822-23830
  • Royal Society of Chemistry (RSC)
  • ISSN: 1463-9076
  • DOI: 10.1039/c6cp02929a