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Volumn 136, Issue 1-2, 2007, Pages 94-103

Experimental and theoretical study of thermodynamic excess properties of associating liquid alkanol + 4-picoline mixtures based on quantum mechanical ab initio calculations

Author keywords

Hydrogen bonding; Liquid mixtures; Molecular clusters; Molecular thermodynamics; Quantum mechanical ab initio calculations

Indexed keywords

CALORIMETRY; CLUSTER ANALYSIS; ENTHALPY; HYDROGEN BONDS; PARAMETER ESTIMATION; STATISTICAL METHODS; STRUCTURAL PROPERTIES;

EID: 34748869632     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2007.02.001     Document Type: Article
Times cited : (12)

References (18)
  • 4
    • 34748891987 scopus 로고    scopus 로고
    • Gaussian 03, Revision B.04, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople, Gaussian, Inc., Pittsburgh PA, 2003.
  • 7
    • 34748885172 scopus 로고    scopus 로고
    • D. Wandschneider, PhD-Thesis, University of Rostock, 2005.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.