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Volumn 40, Issue 4, 2008, Pages 625-631

3,4,5-Trimethoxyphenol: A combined experimental and theoretical thermochemical investigation of its antioxidant capacity

Author keywords

3,4,5 Trimethoxyphenol; Calorimetry; Density functional calculations; Enthalpy of formation; O H bond dissociation energy

Indexed keywords

CALORIMETRY; COMBUSTION; DENSITY FUNCTIONAL THEORY; ENTHALPY; SUBLIMATION; THERMOCHEMISTRY;

EID: 40949092312     PISSN: 00219614     EISSN: 10963626     Source Type: Journal    
DOI: 10.1016/j.jct.2007.11.006     Document Type: Article
Times cited : (20)

References (36)
  • 29
    • 40949133696 scopus 로고    scopus 로고
    • GAMESS-UK is a package of ab initio programs written by M.F. Guest, J.H. van Lenthe, J. Kendrick, K. Schoffel, and P. Sherwood, with contributions from R.D. Amos, R.J. Buenker, H.J.J. van Dam, M. Dupuis, N.C. Handy, I.H. Hillier, P.J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R.J. Harrison, A.P. Rendell, V.R. Saunders, A.J. Stone and A.H. de Vries. The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler and J. Wendoloski, NRCC Software Catalog, vol. 1, Program No. QG01 (GAMESS), 1980.
    • GAMESS-UK is a package of ab initio programs written by M.F. Guest, J.H. van Lenthe, J. Kendrick, K. Schoffel, and P. Sherwood, with contributions from R.D. Amos, R.J. Buenker, H.J.J. van Dam, M. Dupuis, N.C. Handy, I.H. Hillier, P.J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R.J. Harrison, A.P. Rendell, V.R. Saunders, A.J. Stone and A.H. de Vries. The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler and J. Wendoloski, NRCC Software Catalog, vol. 1, Program No. QG01 (GAMESS), 1980.
  • 30
    • 40949146464 scopus 로고    scopus 로고
    • The DFT module within GAMESS-UK was developed by Dr. P. Young under the auspices of EPSRC's Collaborative Computational Project No. 1 (CCP1) (1995-1997).
    • The DFT module within GAMESS-UK was developed by Dr. P. Young under the auspices of EPSRC's Collaborative Computational Project No. 1 (CCP1) (1995-1997).
  • 36
    • 40949120498 scopus 로고    scopus 로고
    • J.E. Bartmess, in: PJ. Linstrom, W.G. Mallard (Eds.), Negative Ion Energetics Data, NIST Chemistry WebBook, NIST Standard Reference Database Number 69, March 2003, National Institute of Standards and Tecnology, Gaithersburg, MD. ().
    • J.E. Bartmess, in: PJ. Linstrom, W.G. Mallard (Eds.), Negative Ion Energetics Data, NIST Chemistry WebBook, NIST Standard Reference Database Number 69, March 2003, National Institute of Standards and Tecnology, Gaithersburg, MD. ().


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.