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Volumn 107, Issue 51, 2003, Pages 11468-11482

Effects of Porphyrin Core Saddling, meso-Phenyl Twisting, and Counterions on the Optical Properties of meso-Tetraphenylporphyrin Diacids: The [H 4TPP](X)2 (X = F, Cl, Br, I) Series as a Case Study

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; CHARGE TRANSFER; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; FLUORESCENCE; NUCLEAR MAGNETIC RESONANCE; OPTICAL PROPERTIES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; ULTRAVIOLET SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

EID: 0347603487     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030999n     Document Type: Article
Times cited : (132)

References (80)
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    • Gross, E. U. K.; Dobson, J. F.; Petersilka, M. Density Functional Theory. In Density Functional Theory; Springer Series "Topics in Current Chemistry"; Nalewajski, R. F., Ed.; Springer: Heidelberg, 1996.
    • (1996) Density Functional Theory
    • Gross, E.U.K.1    Dobson, J.F.2    Petersilka, M.3
  • 44
    • 5944261746 scopus 로고
    • Erratum: PRB 34, 1986 7406
    • Perdew, J. P. Phys. Rev. B 1986, 33, 8822 (Erratum: PRB 34 1986 7406).
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 50
    • 0348228570 scopus 로고    scopus 로고
    • ADF "STO basis set database available on line at http://tc.chem.vu.nl/SCM/Doc/atomicdatabase,".


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.