Literature DB >> 16838153

Just how good is DFT?

Abhik Ghosh1.   

Abstract

Mesh：

Year:  2006        PMID： 16838153     DOI： 10.1007/s00775-006-0134-5

Source DB:  PubMed          Journal:  J Biol Inorg Chem        ISSN： 0949-8257            Impact factor:   3.358


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Review 1.  High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report.

Authors:  Abhik Ghosh; Peter R Taylor
Journal:  Curr Opin Chem Biol       Date:  2003-02       Impact factor: 8.822
  1 in total
  4 in total

1.  Density functional localized orbital corrections for transition metals.

Authors:  David Rinaldo; Li Tian; Jeremy N Harvey; Richard A Friesner
Journal:  J Chem Phys       Date:  2008-10-28       Impact factor: 3.488

2.  Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase.

Authors:  Daniel Bím; Jakub Chalupský; Martin Culka; Edward I Solomon; Lubomír Rulíšek; Martin Srnec
Journal:  J Am Chem Soc       Date:  2020-05-29       Impact factor: 15.419

3.  CO, NO and O2 as Vibrational Probes of Heme Protein Interactions.

Authors:  Thomas G Spiro; Alexandra V Soldatova; Gurusamy Balakrishnan
Journal:  Coord Chem Rev       Date:  2012-06-06       Impact factor: 22.315

4.  Theoretical investigations on the hydrolysis pathway of tin verdoheme complexes: elucidation of tin's ring opening inhibition role.

Authors:  Mahdi D Davari; Homayoon Bahrami; Mansour Zahedi; Nasser Safari
Journal:  J Mol Model       Date:  2009-04-17       Impact factor: 1.810
  4 in total

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