Structure and electronic spectral property of coumarin-chalcone hybrids: A comparative study using conventional and long-range corrected hybrid functionals

Computational and Theoretical Chemistry

Volumn 981, Issue , 2012, Pages 90-99

  Xue, Yunsheng ^a   An, Lin ^a   Zheng, Youguang ^a   Zhang, Ling ^a   Gong, Xuedong ^b   Qian, Yan ^a   Liu, Yi ^a  

^a XUZHOU MEDICAL UNIVERSITY   (China)

^b NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Coumarin chalcone hybrids; Electronic absorption spectrum; Intramolecular charge transfer; Long range hybrid; TDDFT

Indexed keywords

EID: 84862963085     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.11.050     Document Type: Article

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