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Volumn 115, Issue 50, 2011, Pages 15119-15128

Color tuning in binding pocket models of the chlamydomonas-type channelrhodopsins

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; FUNCTIONAL GROUPS; MOLECULAR MODELING;

EID: 84859397119     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2085457     Document Type: Article
Times cited : (26)

References (61)
  • 46
    • 36448947645 scopus 로고    scopus 로고
    • Max-Planck-Institut für Kohlenforschung: Mülheim an der Ruhr, Germany
    • Thiel, W. MNDO99, version 6.1; Max-Planck-Institut für Kohlenforschung: Mülheim an der Ruhr, Germany, 2004.
    • (2004) MNDO99, Version 6.1
    • Thiel, W.1
  • 50
    • 85067760209 scopus 로고    scopus 로고
    • (multireferential, difference dedicated configuration interaction with 3 degrees of freedom) with a CAS(4, 4) reference space after the initial restricted Hartree-Fock calculation and generation of improved virtual orbitals
    • As one-electron basis for the SORCI calculation, averaged approximate natural orbitals were used, resulting from a MRDDCI3 calculation (multireferential, difference dedicated configuration interaction with 3 degrees of freedom) with a CAS(4,4) reference space after the initial restricted Hartree-Fock calculation and generation of improved virtual orbitals.
    • As One-Electron Basis for the SORCI Calculation, Averaged Approximate Natural Orbitals Were Used, Resulting from a MRDDCI3 Calculation


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.