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Volumn 6, Issue 4, 2000, Pages 413-424

Theoretical ab initio study of TiCl4 ammonolysis: Gas phase reactions of TiN chemical vapor deposition

Author keywords

Ab initio calculations; Ammonolysis; Chemical vapor deposition; Donor acceptor complexes; Titanium nitride

Indexed keywords


EID: 0001012982     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/pl00010740     Document Type: Article
Times cited : (19)

References (54)
  • 13
    • 0346606254 scopus 로고
    • Cotton, F.A., Ed.; Interscience Publishers: New York
    • (a) Fowles, G. W. A. In Progress in Inorganic Chemistry; Cotton, F.A., Ed.; Interscience Publishers: New York, 1964; Vol 6, p 1.
    • (1964) Progress in Inorganic Chemistry , vol.6 , pp. 1
    • Fowles, G.W.A.1
  • 14
    • 0039924740 scopus 로고
    • Bailer, J. C., Jr.; Emeleus, H. J.; Nyholm, R., Trotman-Dickenson, A. F., Eds.; Pergamon Press: Oxford
    • (b) Clark, R. J. H. In Comprehensive Inorganic Chemistry; Bailer, J. C., Jr.; Emeleus, H. J.; Nyholm, R., Trotman-Dickenson, A. F., Eds.; Pergamon Press: Oxford, 1973; Vol 3., p.355.
    • (1973) Comprehensive Inorganic Chemistry , vol.3 , pp. 355
    • Clark, R.J.H.1
  • 29
    • 33744587077 scopus 로고    scopus 로고
    • note
    • For some reactions we were unable to locate transtition state structures at the correlated level. In these cases CCSD(T) single calculations were carried out on the HF optimized geometries.
  • 49
    • 33744695591 scopus 로고    scopus 로고
    • note
    • Although geometric isomers may be considered as a more appropriate term for considering bipyramodal structures with different axial-equatorial configurations, we call them conformations in this paper, since energy variations for this type of isomerism is in a few kcal mol-1 range.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.