Comparison of ab initio and group additive ideal gas heat capacities

Robert A. Marriott, Mary Anne White

Research output: Contribution to journalReview articlepeer-review

12 Citations (Scopus)
Original languageEnglish
Pages (from-to)292-297
Number of pages6
JournalAIChE Journal
Volume51
Issue number1
DOIs
Publication statusPublished - Jan 2005

ASJC Scopus Subject Areas

  • General Chemical Engineering
  • Biotechnology
  • Environmental Engineering

Keywords

  • Ab initio methods
  • Additivity
  • Heat capacity
  • Ideal gas
  • Vibrational frequencies

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