Literature DB >> 10021600

Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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Abstract

Year:  1993        PMID： 10021600     DOI： 10.1103/physrevb.48.4978.2

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


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1.  Second hyperpolarizability of delta shaped disubstituted acetylene complexes of beryllium, magnesium, and calcium.

Authors:  Kaushik Hatua; Prasanta K Nandi
Journal:  J Mol Model       Date:  2015-09-11       Impact factor: 1.810

2.  Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles.

Authors:  Georgi N Vayssilov; Yaroslava Lykhach; Annapaola Migani; Thorsten Staudt; Galina P Petrova; Nataliya Tsud; Tomáš Skála; Albert Bruix; Francesc Illas; Kevin C Prince; Vladimír Matolín; Konstantin M Neyman; Jörg Libuda
Journal:  Nat Mater       Date:  2011-03-20       Impact factor: 43.841

3.  Interaction energies in non-covalently bound intermolecular complexes derived using the subsystem formulation of density functional theory.

Authors:  Marcin Dułak; Tomasz A Wesołowski
Journal:  J Mol Model       Date:  2007-03-13       Impact factor: 1.810

4.  Density functional theory characterisation of 4-hydroxyazobenzene.

Authors:  Benoit Minisini; Guillaume Fayet; François Tsobnang; Jean François Bardeau
Journal:  J Mol Model       Date:  2007-10-05       Impact factor: 1.810

5.  Hybridization energies of double strands composed of DNA, RNA, PNA and LNA.

Authors:  Takayuki Natsume; Yasuyuki Ishikawa; Kenichi Dedachi; Takayuki Tsukamoto; Noriyuki Kurita
Journal:  Chem Phys Lett       Date:  2007-01-26       Impact factor: 2.328

6.  Density functional study of bare gold clusters: the ten-vertex neutral system.

Authors:  Menyhárt B Sárosi; Petronela M Petrar; R Bruce King
Journal:  J Mol Model       Date:  2013-08-22       Impact factor: 1.810

7.  A first-principles study of pristine and Al-doped activated carbon interacting with 5-Fluorouracil anticancer drug.

Authors:  G Román; E Noseda Grau; A Díaz Compañy; G Brizuela; A Juan; S Simonetti
Journal:  Eur Phys J E Soft Matter       Date:  2018-09-19       Impact factor: 1.890

8.  Counting electrons on supported nanoparticles.

Authors:  Yaroslava Lykhach; Sergey M Kozlov; Tomáš Skála; Andrii Tovt; Vitalii Stetsovych; Nataliya Tsud; Filip Dvořák; Viktor Johánek; Armin Neitzel; Josef Mysliveček; Stefano Fabris; Vladimír Matolín; Konstantin M Neyman; Jörg Libuda
Journal:  Nat Mater       Date:  2015-12-14       Impact factor: 43.841

9.  Architectures, electronic structures, and stabilities of Cu-doped Ge n clusters: density functional modeling.

Authors:  Debashis Bandyopadhyay
Journal:  J Mol Model       Date:  2012-03-17       Impact factor: 1.810

10.  Performance of density functional models to reproduce observed (13)C(alpha) chemical shifts of proteins in solution.

Authors:  Jorge A Vila; Héctor A Baldoni; Harold A Scheraga
Journal:  J Comput Chem       Date:  2009-04-30       Impact factor: 3.376
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