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Volumn 72, Issue 8, 1999, Pages 1737-1740

Interpretation of 'π energy' and its linear additivity in polyenes

Author keywords

[No Author keywords available]

Indexed keywords

POLYENE;

EID: 0032812634     PISSN: 00092673     EISSN: None     Source Type: Journal    
DOI: 10.1246/bcsj.72.1737     Document Type: Article
Times cited : (5)

References (50)
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    • note
    • In the variation method, we should realize that we do not seek the lowest E by varying the coefficients since we never take care of the second derivatives. Namely, we never know whether we obtained the maximum or minimum extreme points. What we can say is that we only obtained the stationary wave functions.
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    • note
    • This means that comparison of a partitioned energy (e.g. 'π energy') between different geometries is meaningless.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.