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Volumn 97, Issue 1-4, 1997, Pages 59-66

The inner-hydrogen migration in free base porphyrin

Author keywords

Barrier height; DFT; Dynamics; Isomerization

Indexed keywords


EID: 0031285822     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050237     Document Type: Article
Times cited : (62)

References (44)
  • 27
    • 0010763391 scopus 로고    scopus 로고
    • note
    • We define the unit of a single basis function as a 'Boys', in honor of Professor Samuel Francis Boys who first demonstrated the feasibility of machine-aided computational chemistry; 1000 basis functions we call a 'Pople', in honor of Professor John Pople who first coupled computational ab initio methods to emerging computer technologies in a general way making possible studies of a magnitude we associate as an earmark of Jan Almlöf
  • 43
    • 0003622711 scopus 로고
    • Roos B (ed) Springer, Berlin Heidelberg New York
    • Taylor PR (1992) In: Roos B (ed) Lecture Notes in Quantum Chemistry. Springer, Berlin Heidelberg New York, vol. 58
    • (1992) Lecture Notes in Quantum Chemistry , vol.58
    • Taylor, P.R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.