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Volumn 9, Issue 9, 2013, Pages 3872-3877

Computational prediction for singlet- and triplet-transition energies of charge-transfer compounds

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EID: 84884172881     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct400415r     Document Type: Article
Times cited : (310)

References (51)
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    • 4CzTPN-Ph is not included in this work due to its poor solubility in cyclohexane and excessive size for excited state geometry optimization - 238
    • Uoyama, H.; Goushi, K.; Shizu, K.; Nomura, H.; Adachi, C. Nature 2012, 492, 234-238. 4CzTPN-Ph is not included in this work due to its poor solubility in cyclohexane and excessive size for excited state geometry optimization
    • (2012) Nature , vol.492 , pp. 234
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    • Calculation of Excited States: Molecular Photophysics and Photochemistry on Display
    • In; Leszczynski, J. Springer: New York
    • Serrano-Andrés, L.; Serrano-Pérez, J. J. Calculation of Excited States: Molecular Photophysics and Photochemistry on Display. In Handbook of Computational Chemistry; Leszczynski, J., Ed.; Springer: New York, 2012; p 488.
    • (2012) Handbook of Computational Chemistry , pp. 488
    • Serrano-Andrés, L.1    Serrano-Pérez, J.J.2
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    • 0001694717 scopus 로고    scopus 로고
    • The UV-Vis spectra were calculated using the SWizard program. - 196
    • The UV-Vis spectra were calculated using the SWizard program. Gorelsky, S. I.; Lever, A. B. P. J. Organomet. Chem. 2001, 635, 187-196
    • (2001) J. Organomet. Chem. , vol.635 , pp. 187
    • Gorelsky, S.I.1    Lever, A.B.P.2
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    • The Art of Choosing the Right Quantum Chemical Excited-State Method for Large Molecular Systems
    • In; Comba, P. Wiley-VCH: New York - 38
    • Harbach, P. H. P.; Dreuw, A. The Art of Choosing the Right Quantum Chemical Excited-State Method for Large Molecular Systems. In Modeling of Molecular Properties; Comba, P., Ed.; Wiley-VCH: New York, 2011; pp 37-38.
    • (2011) Modeling of Molecular Properties , pp. 37
    • Harbach, P.H.P.1    Dreuw, A.2
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    • Stokes-shift is the gap between the 0-0 transitions of absorption and fluorescence
    • Wiley-VCH: New York
    • Stokes-shift is the gap between the 0-0 transitions of absorption and fluorescence: Petr, K.; Jakob, W. Photochemistry of Organic Compounds: From Concepts to Practice; Wiley-VCH: New York, 2009; p 43.
    • (2009) Photochemistry of Organic Compounds: From Concepts to Practice , pp. 43
    • Petr, K.1    Jakob, W.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.