Literature DB >> 9949100

Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas

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Abstract

Year:  1986        PMID： 9949100

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


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  103 in total

1.  Theoretical description of halogen bonding - an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV).

Authors:  Mariusz P Mitoraj; Artur Michalak
Journal:  J Mol Model       Date:  2012-06-06       Impact factor: 1.810

2.  Application of DFT methods to the study of the coordination environment of the VO2+ ion in V proteins.

Authors:  Daniele Sanna; Vincent L Pecoraro; Giovanni Micera; Eugenio Garribba
Journal:  J Biol Inorg Chem       Date:  2012-04-15       Impact factor: 3.358

3.  Controlled protein dimerization through hybrid coordination motifs.

Authors:  Robert J Radford; Phuong C Nguyen; Treffly B Ditri; Joshua S Figueroa; F Akif Tezcan
Journal:  Inorg Chem       Date:  2010-05-03       Impact factor: 5.165

4.  Identification of a single light atom within a multinuclear metal cluster using valence-to-core X-ray emission spectroscopy.

Authors:  Mario Ulises Delgado-Jaime; Benjamin R Dible; Karen P Chiang; William W Brennessel; Uwe Bergmann; Patrick L Holland; Serena DeBeer
Journal:  Inorg Chem       Date:  2011-09-28       Impact factor: 5.165

5.  Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals for chemical valence (ETS-NOCV).

Authors:  Mariusz P Mitoraj; Rafał Kurczab; Marek Boczar; Artur Michalak
Journal:  J Mol Model       Date:  2010-05-28       Impact factor: 1.810

6.  Dimanganese catalase--spectroscopic parameters from broken-symmetry density functional theory of the superoxidized Mn(III)/Mn(IV) state.

Authors:  Sebastian Sinnecker; Frank Neese; Wolfgang Lubitz
Journal:  J Biol Inorg Chem       Date:  2005-04-14       Impact factor: 3.358

7.  Computational study on the difference between the Co-C bond dissociation energy in methylcobalamin and adenosylcobalamin.

Authors:  Nicole Dölker; Antonio Morreale; Feliu Maseras
Journal:  J Biol Inorg Chem       Date:  2005-09-23       Impact factor: 3.358

8.  Measurement of long-range 1H-19F scalar coupling constants and their glycosidic torsion dependence in 5-fluoropyrimidine-substituted RNA.

Authors:  Mirko Hennig; Markéta L Munzarova; Wolfgang Bermel; Lincoln G Scott; Vladimír Sklenar; James R Williamson
Journal:  J Am Chem Soc       Date:  2006-05-03       Impact factor: 15.419

9.  Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N2 reduction.

Authors:  Simone Raugei; Lance C Seefeldt; Brian M Hoffman
Journal:  Proc Natl Acad Sci U S A       Date:  2018-10-24       Impact factor: 11.205

10.  Are homoleptic complexes of ethylene with group 12 metals isolable in solution? A DFT study.

Authors:  Mauro Fianchini; Nuno A G Bandeira
Journal:  J Mol Model       Date:  2018-06-14       Impact factor: 1.810
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