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Volumn 40, Issue 42, 2011, Pages 11070-11079

Prediction of high-valent iron K-edge absorption spectra by time-dependent Density Functional Theory

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; COORDINATION ENVIRONMENT; FERRIC COMPLEXES; HIGH-VALENT IRONS; METALLO-PROTEINS; MODEL COMPLEXES; OXIDATION STATE; PRE-EDGE FEATURES; REACTIVE SPECIES; SITE GEOMETRY; SPECTRAL FEATURE; SPECTROSCOPIC SIGNATURES; SPIN STATE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DFT;

EID: 80055003105     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/c1dt11331c     Document Type: Article
Times cited : (91)

References (57)
  • 31
    • 0003795626 scopus 로고    scopus 로고
    • SSRL, SLAC, Stanford University: Stanford, CA
    • G. N. George, EXAFSPAK, SSRL, SLAC, Stanford University: Stanford, CA
    • EXAFSPAK
    • George, G.N.1
  • 32
    • 34547720576 scopus 로고    scopus 로고
    • Stanford Synchrotron Radiation Laboratory, Stanford Linear Accelerator Center, Stanford University, Stanford, CA
    • A. Tenderholt PySpline, Stanford Synchrotron Radiation Laboratory, Stanford Linear Accelerator Center, Stanford University, Stanford, CA
    • PySpline
    • Tenderholt, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.