Literature DB >> 11782157

Can semiempirical quantum mechanics be used to predict the spin state of transition metal complexes? An application of de novo prediction.

David M Ball1, Corneliu Buda, Aaron M Gillespie, David P White, Thomas R Cundari.   

Abstract

Entities:  

Year:  2002        PMID: 11782157     DOI: 10.1021/ic0108437

Source DB:  PubMed          Journal:  Inorg Chem        ISSN: 0020-1669            Impact factor:   5.165


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  3 in total

1.  Electron tunneling in respiratory complex I.

Authors:  Tomoyuki Hayashi; Alexei A Stuchebrukhov
Journal:  Proc Natl Acad Sci U S A       Date:  2010-10-25       Impact factor: 11.205

2.  Quantum electron tunneling in respiratory complex I.

Authors:  Tomoyuki Hayashi; Alexei A Stuchebrukhov
Journal:  J Phys Chem B       Date:  2011-04-15       Impact factor: 2.991

3.  First principles studies of electron tunneling in proteins.

Authors:  Tomoyuki Hayashi; Alexei A Stuchebrukhov
Journal:  Comput Theor Chem       Date:  2011-11-15       Impact factor: 1.926

  3 in total

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