Literature DB >> 20733599

A joint effort with lasting impact.

Jürgen Hafner1.   

Abstract

Year:  2010        PMID： 20733599     DOI： 10.1038/nmat2838

Source DB:  PubMed          Journal:  Nat Mater        ISSN： 1476-1122            Impact factor:   43.841


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  13 in total

1.  Unified approach for molecular dynamics and density-functional theory.

Authors: 
Journal:  Phys Rev Lett       Date:  1985-11-25       Impact factor: 9.161

2.  Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections.

Authors:  M Shishkin; M Marsman; G Kresse
Journal:  Phys Rev Lett       Date:  2007-12-12       Impact factor: 9.161

3.  Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene.

Authors:  Felix Studt; Frank Abild-Pedersen; Thomas Bligaard; Rasmus Z Sørensen; Claus H Christensen; Jens K Nørskov
Journal:  Science       Date:  2008-06-06       Impact factor: 47.728

4.  Mechanism of alkane dehydrogenation catalyzed by acidic zeolites: Ab initio transition path sampling.

Authors:  Tomás Bucko; Lubomir Benco; Orest Dubay; Christoph Dellago; Jürgen Hafner
Journal:  J Chem Phys       Date:  2009-12-07       Impact factor: 3.488

5.  Solution of Schrödinger's equation for large systems.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1989-12-15

6.  Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1989-03-15

7.  Projector augmented-wave method.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1994-12-15

8.  Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code.

Authors:  Chris-Kriton Skylaris; Peter D Haynes; Arash A Mostofi; Mike C Payne
Journal:  J Phys Condens Matter       Date:  2008-01-24       Impact factor: 2.333

9.  Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).

Authors:  Jürgen Hafner
Journal:  J Phys Condens Matter       Date:  2008-01-24       Impact factor: 2.333

10.  Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer.

Authors:  Artem R Oganov; Shigeaki Ono
Journal:  Nature       Date:  2004-07-22       Impact factor: 49.962
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  1 in total

1.  A model approach to modelling.

Authors: 
Journal:  Nat Mater       Date:  2010-09       Impact factor: 43.841
  1 in total

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