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Volumn 2, Issue 11, 2004, Pages 1647-1650

The energetics of isomeric benzoxazine diones: Isatoic anhydride revisited

Author keywords

[No Author keywords available]

Indexed keywords

CALORIMETRY; CHEMICAL BONDS; COMPUTATIONAL METHODS; CRYSTALLINE MATERIALS; ENTHALPY; ISOMERIZATION; ISOMERS; STATISTICAL METHODS; SUBLIMATION; THERMODYNAMIC STABILITY;

EID: 2942724473     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/b402801e     Document Type: Article
Times cited : (18)

References (26)
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    • CODATA, J. Chem. Thermodyn., 1978, 10, 903-906.
    • (1978) J. Chem. Thermodyn. , vol.10 , pp. 903-906
  • 20
    • 49649133169 scopus 로고
    • P. C. Hariharan and J. A. Pople, Chem. Phys. Lett., 1972, 16, 217-219; M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. DeFrees and J. A. Pople, J. Chem. Phys., 1982, 77, 3654-3665.
    • (1972) Chem. Phys. Lett. , vol.16 , pp. 217-219
    • Hariharan, P.C.1    Pople, J.A.2
  • 22
    • 33748545144 scopus 로고
    • P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1973, 28, 213-222; M. J. Frisch, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265-3269.
    • (1973) Theor. Chim. Acta , vol.28 , pp. 213-222
    • Hariharan, P.C.1    Pople, J.A.2
  • 25
    • 2942743277 scopus 로고    scopus 로고
    • note
    • 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.
  • 26
    • 2942713510 scopus 로고    scopus 로고
    • note
    • 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).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.