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Volumn 43, Issue 13, 2004, Pages 3413-3418

Ab initio study of the reaction of carbamate formation from CO2 and alkanolamines

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; MATHEMATICAL MODELS; NITROGEN COMPOUNDS; REACTION KINETICS;

EID: 2942667800     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie030619k     Document Type: Article
Times cited : (231)

References (13)
  • 2
    • 3643089036 scopus 로고
    • Kinetics of carbamate formation and breakdown
    • Caplow, M. Kinetics of Carbamate Formation and Breakdown. J. Am. Chem. Soc. 1968, 90, 6795.
    • (1968) J. Am. Chem. Soc. , vol.90 , pp. 6795
    • Caplow, M.1
  • 4
    • 37049081595 scopus 로고
    • Kinetics and mechanism of the reaction beween carbon dioxide and amines in aqueous solution
    • Crooks, J. E.; Donnellan, J. P. Kinetics and Mechanism of the Reaction beween Carbon Dioxide and Amines in Aqueous Solution. J. Chem. Soc., Perkins Trans. 2 1989, 331.
    • (1989) J. Chem. Soc., Perkins Trans. 2 , pp. 331
    • Crooks, J.E.1    Donnellan, J.P.2
  • 5
    • 33748905333 scopus 로고    scopus 로고
    • Model for aqueous solvation based on class IV atomic charges and first solvation shell effects
    • Chambers, C. C.; Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. Model for aqueous solvation based on class IV atomic charges and first solvation shell effects. J. Phys. Chem. 1996, 100, 16385.
    • (1996) J. Phys. Chem. , vol.100 , pp. 16385
    • Chambers, C.C.1    Hawkins, G.D.2    Cramer, C.J.3    Truhlar, D.G.4
  • 6
    • 23844438075 scopus 로고    scopus 로고
    • Wavefuncion, Inc.: Irvine, CA
    • PC SPARTAN, version 1.0.7; Wavefuncion, Inc.: Irvine, CA, 2001.
    • (2001) PC SPARTAN Version 1.0.7
  • 7
    • 0141656476 scopus 로고    scopus 로고
    • a values of amines using ab initio methods and free-energy perturbations
    • a Values of Amines Using ab Initio Methods and Free-Energy Perturbations. Ind. Eng. Chem. Res. 2003, 42, 4414.
    • (2003) Ind. Eng. Chem. Res. , vol.42 , pp. 4414
    • Da Silva, E.F.1    Svendsen, H.F.2
  • 13
    • 0002330612 scopus 로고    scopus 로고
    • Reaction of aqueous 2-(n-methylamino)ethanol solutions with carbon dioxide. Chemical species and their conformers studied by vibrational spectroscopy and ab initio theories
    • Ohno, K.; Matsumoto, H.; Yoshida, H.; Matsuura, H.; Iwaki, T.; Suda, T. Reaction of Aqueous 2-(N-Methylamino)ethanol Solutions with Carbon Dioxide. Chemical Species and Their Conformers Studied by Vibrational Spectroscopy and ab initio Theories. J. Phys. Chem. A 1998, 102, 8056.
    • (1998) J. Phys. Chem. A , vol.102 , pp. 8056
    • Ohno, K.1    Matsumoto, H.2    Yoshida, H.3    Matsuura, H.4    Iwaki, T.5    Suda, T.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.