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Volumn 109, Issue 20, 2005, Pages 4623-4631

Impact of sulfur vs oxygen on the low-lying excited states of trans-p-coumaric acid and trans-p-coumaric thio acid

Author keywords

[No Author keywords available]

Indexed keywords

CHROMOPHORES; DERIVATIVES; ELECTRONIC STRUCTURE; ESTERS; PROBABILITY DENSITY FUNCTION; PROTEINS; SULFUR COMPOUNDS;

EID: 20344369297     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0447791     Document Type: Article
Times cited : (53)

References (41)
  • 24
    • 20344365517 scopus 로고    scopus 로고
    • note
    • According to our EOM-IP/6-31G* calculations the first ionozation potential of the deprotonated CTA is 2.88 eV whereas its first excited-state lies at 3.04 eV.
  • 29
    • 20344377822 scopus 로고    scopus 로고
    • http://www.vitamins-minerals.tv/phytochemicals/para_ coumaric_acid.htm.
  • 32
    • 20344375886 scopus 로고    scopus 로고
    • note
    • The minimum type of the ground-state equilibrium structure was verified by additional geometry optimization calculations where a less symmetrical initial configuration of the molecule was used. No other stationary points were obtained in those cases.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.