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Volumn 50, Issue 15, 2011, Pages 6987-6995

A theoretical study on the enhancement of functionally relevant electron transfers in biomimetic models of [FeFe]-hydrogenases

Author keywords

[No Author keywords available]

Indexed keywords

BIOMIMETIC MATERIAL; HYDROGENASE; IRON HYDROGENASE; IRON SULFUR PROTEIN; LIGAND; MALEIC ANHYDRIDE; ORGANOMETALLIC COMPOUND; PHOSPHINE; PHOSPHINE DERIVATIVE; PROTON;

EID: 79960764900     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic200297d     Document Type: Article
Times cited : (31)

References (63)
  • 39
    • 84856308141 scopus 로고    scopus 로고
    • - and its terminal-hydride and bridging-hydride derivatives (see Results and Discussion) vary by less than 0.13 and 0.06 when computed in a vacuum or in a continuum solvent model at ε = 2.4; moreover, the computed stability difference between the two hydride adducts vary by only 0.2 kcal/mol going from vacuum to COSMO-soaked models
    • - and its terminal-hydride and bridging-hydride derivatives (see Results and Discussion) vary by less than 0.13 and 0.06 when computed in a vacuum or in a continuum solvent model at ε = 2.4; moreover, the computed stability difference between the two hydride adducts vary by only 0.2 kcal/mol going from vacuum to COSMO-soaked models.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.