메뉴 건너뛰기




Volumn 109, Issue 24, 2005, Pages 5430-5437

Acetic acid vapor: 1. Statistical/quantum mechanical models of the ideal vapor

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID VAPOR; DISSOCIATION ENERGY; QUANTUM MECHANICAL MODELS; VIBRATIONAL ENERGY;

EID: 22444448543     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp058003r     Document Type: Article
Times cited : (14)

References (20)
  • 1
    • 0003527976 scopus 로고
    • Harper Collins: New York; Chapters 6 and 8
    • McQuarrie, D. A. Statistical Mechanics; Harper Collins: New York, 1976; Chapters 6 and 8.
    • (1976) Statistical Mechanics
    • McQuarrie, D.A.1
  • 5
    • 22444441912 scopus 로고    scopus 로고
    • See ref 3
    • See ref 3.
  • 7
    • 22444438775 scopus 로고    scopus 로고
    • note
    • Five significant digits are carried in values of the molecular dissociation energy to control round-off error in subsequent calculations, but only three significant digits are reported in the final results.
  • 8
    • 22444441123 scopus 로고    scopus 로고
    • note
    • -1 by Turi and Dannenberg (ref 3) for an MP2/6-311G++(d,p) calculation. The former is for absolute zero and the latter for 298 K. The latter pair of authors provide an extensive table of isomerization energies computed at different levels with different basis sets.
  • 14
    • 22444439064 scopus 로고    scopus 로고
    • See ref 3
    • See ref 3.
  • 15
    • 22444434691 scopus 로고    scopus 로고
    • See ref 10
    • See ref 10.
  • 19
    • 0004169288 scopus 로고
    • Prentice Hall: Englewood Cliffs, NJ; Chapter 10.IV
    • Klotz, I. M. Chemical Thermodynamics; Prentice Hall: Englewood Cliffs, NJ, 1950; Chapter 10.IV.
    • (1950) Chemical Thermodynamics
    • Klotz, I.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.