Literature DB >> 23881490

Computational chemistry: a multitude of spins.

Jeremy N Harvey.   

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Year:  2013        PMID： 23881490     DOI： 10.1038/nchem.1719

Source DB:  PubMed          Journal:  Nat Chem        ISSN： 1755-4330            Impact factor:   24.427


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  6 in total

1.  Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å.

Authors:  Yasufumi Umena; Keisuke Kawakami; Jian-Ren Shen; Nobuo Kamiya
Journal:  Nature       Date:  2011-04-17       Impact factor: 49.962

2.  Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem II.

Authors:  Yuki Kurashige; Garnet Kin-Lic Chan; Takeshi Yanai
Journal:  Nat Chem       Date:  2013-06-09       Impact factor: 24.427

3.  Local explicitly correlated coupled-cluster methods: efficient removal of the basis set incompleteness and domain errors.

Authors:  Thomas B Adler; Hans-Joachim Werner
Journal:  J Chem Phys       Date:  2009-06-28       Impact factor: 3.488

4.  Modeling near-edge fine structure X-ray spectra of the manganese catalytic site for water oxidation in photosystem II.

Authors:  Barbara Brena; Per E M Siegbahn; Hans Ågren
Journal:  J Am Chem Soc       Date:  2012-10-03       Impact factor: 15.419

5.  A structure-consistent mechanism for dioxygen formation in photosystem II.

Authors:  Per E M Siegbahn
Journal:  Chemistry       Date:  2008       Impact factor: 5.236

6.  Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters.

Authors:  Emily Y Tsui; Rosalie Tran; Junko Yano; Theodor Agapie
Journal:  Nat Chem       Date:  2013-03-03       Impact factor: 24.427
  6 in total
  1 in total

1.  Iron-Catalyzed Reductive Coupling of Alkyl Iodides with Alkynes To Yield cis-Olefins: Mechanistic Insights from Computation.

Authors:  Andrea Darù; Xile Hu; Jeremy N Harvey
Journal:  ACS Omega       Date:  2020-01-15
  1 in total

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