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Volumn 115, Issue 39, 2011, Pages 10749-10761

Simulating picosecond iron K-edge X-ray absorption spectra by ab initio methods to study photoinduced changes in the electronic structure of Fe(II) spin crossover complexes

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; BACK-BONDING; ELECTRIC DIPOLE; FE COMPLEXES; FE K-EDGE; FUNCTIONALS; HIGHLY SENSITIVE; HYBRID FUNCTIONALS; K-EDGE SPECTRA; LIGAND FIELD SPLITTING; METAL-LIGAND BONDING; ORBITALS; PHOTOCONVERSION; PHOTOINDUCED CHANGE; PICOSECONDS; QUADRUPOLES; SPIN CROSSOVERS; SPIN-CROSSOVER COMPLEXES; TIME-DEPENDENT; TIME-RESOLVED; TIME-SCALES; TRANSIENT SPECTRA; TRANSITION MOMENTS; ULTRA-FAST; X-RAY ABSORPTION SPECTRUM; XANES SPECTRA;

EID: 80053413685     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2056333     Document Type: Article
Times cited : (25)

References (82)
  • 67
    • 78651325180 scopus 로고    scopus 로고
    • Swiss National Supercomputing Centre: Manno, Switzerland.
    • Varetto, U. MOLEKEL 5.4; Swiss National Supercomputing Centre: Manno, Switzerland.
    • MOLEKEL 5.4
    • Varetto, U.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.