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Volumn 115, Issue 28, 2011, Pages 13704-13716

Molecular dynamics simulation of sum frequency generation spectra of aqueous sulfuric acid solution

Author keywords

[No Author keywords available]

Indexed keywords

ACID DISSOCIATION; CONSTITUENT IONS; DENSITY PROFILE; DIANIONS; ELECTRIC DOUBLE LAYER; HYDROGEN BONDINGS; HYDRONIUM CATIONS; INTERFACIAL STRUCTURES; LOW CONCENTRATIONS; MOLE FRACTION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MODELS; ORIENTATIONAL STRUCTURE; STRETCHING REGION; SULFURIC ACID SOLUTION; SUM FREQUENCY GENERATION; SURFACE REGION;

EID: 79960413987     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp200269k     Document Type: Article
Times cited : (47)

References (91)
  • 38
  • 44
    • 79960416214 scopus 로고    scopus 로고
    • Ishiyama, T.; Morita, A.; Miyamae, T. to be submitted
    • Ishiyama, T.; Morita, A.; Miyamae, T. to be submitted.
  • 57
    • 79960401202 scopus 로고
    • GAMESS-UK is a package of ab initio programs written by;;;; with contributions from Amos, R.D.; R. J. Buenker; 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. The package is derived from the original GAMESS code due to M. Dupuis; D. Spangler;, Program No. QG01 (GAMESS)
    • GAMESS-UK is a package of ab initio programs written by M. F. Guest; J. H. van Lenthe; J. Kendrick; K. Schoeffel; P. Sherwood with contributions from Amos, R.D.; R. J. Buenker; 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. The package is derived from the original GAMESS code due to M. Dupuis; D. Spangler; J. Wendoloski NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980.
    • (1980) J. Wendoloski NRCC Software Catalog , vol.1
    • Guest, M.F.1    Van Lenthe, J.H.2    Kendrick, J.3    Schoeffel, K.4    Sherwood, P.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.