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Volumn 114, Issue 33, 2010, Pages 8676-8679

Ultrafast charge migration following valence ionization of 4-methylphenol: Jumping over the aromatic ring

Author keywords

[No Author keywords available]

Indexed keywords

4-METHYLPHENOL; AB INITIO METHODOLOGY; AROMATIC RINGS; CHARGE MIGRATION; HYDROXYL GROUPS; MANY-BODY EFFECT; METHYL GROUP; MOLECULAR SYSTEMS; POSITIVE CHARGES; ULTRA-FAST; VALENCE IONIZATION;

EID: 77955873691     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp101256n     Document Type: Article
Times cited : (50)

References (31)
  • 15
    • 77955895195 scopus 로고    scopus 로고
    • Note that, since we want to obtain real natural charge orbitals, only the diagonalization of the real part of the matrix N (t) is needed. The natural choice to use real orbitals enforces cancellation of the imaginary part of the matrix N (t)
    • Note that, since we want to obtain real natural charge orbitals, only the diagonalization of the real part of the matrix N (t) is needed. The natural choice to use real orbitals enforces cancellation of the imaginary part of the matrix N (t).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.