메뉴 건너뛰기




Volumn 109, Issue 2, 2005, Pages 705-710

Selectivity of a model zeolite ring over hydrocarbons with different symmetry, travelling with different orientations and speeds

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL DYNAMICS; FRACTIONAL DISTILLATION; PETROLEUM DEMANDS; REACTION PRODUCTS;

EID: 13244249805     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0476491     Document Type: Article
Times cited : (7)

References (23)
  • 3
    • 0000323669 scopus 로고    scopus 로고
    • Ab initio molecular dynamics: Theory and implementation
    • Forschungszentrum Jülich: Jülich; NIC Series 2000
    • Marx, D.; Hutter, J. Ab Initio Molecular Dynamics: Theory and Implementation. In Modern Methods and Algorithms of Quantum Chemistry; Forschungszentrum Jülich: Jülich, 2000; NIC Series 2000, Vol. 1, p 301.
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , vol.1 , pp. 301
    • Marx, D.1    Hutter, J.2
  • 21
    • 2342653797 scopus 로고
    • Van Nostrand: London
    • The eigenvectors of the second derivative matrix are the normal modes, whereas the eigenvalues are the vibrational frequencies. If the frequencies correlate closely with the experiment, then the physical properties that depend on the second and first derivatives are expected to be correctly described like, for example, the forces over the nuclei. For more details refer to: Herzberg, G. Molecular Spectra and Molecular Structure 11: Infrared and Roman Spectra of Polyatomic Molecules; Van Nostrand: London, 1951.
    • (1951) Molecular Spectra and Molecular Structure 11: Infrared and Roman Spectra of Polyatomic Molecules
    • Herzberg, G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.