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First-principle molecular dynamics with ultrasoft pseudopotentials: Parallel implementation and application to extended bioinorganic systems
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10.1063/1.1652017
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    Affiliations:
    1 Department of Chemistry and Princeton Materials Institute, Princeton University, Princeton, New Jersey 08544
    2 NEST-INFM, Scuola Normale Superiore di Pisa, I-56126 Pisa, Italy
    3 Department of Chemistry and Princeton Materials Institute, Princeton University, Princeton, New Jersey 08544
    4 Istituto CNR di Scienze e Tecnologie Molecolari (ISTM), Dipartimento di Chimica, Università di Perugia, Perugia, Italy
    5 Department of Chemistry and Princeton Materials Institute, Princeton University, Princeton, New Jersey 08544
    J. Chem. Phys. 120, 5903 (2004); http://dx.doi.org/10.1063/1.1652017
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/content/aip/journal/jcp/120/13/10.1063/1.1652017
2004-03-16
2014-08-22
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principle molecular dynamics with ultrasoft pseudopotentials: Parallel implementation and application to extended bioinorganic systems
http://aip.metastore.ingenta.com/content/aip/journal/jcp/120/13/10.1063/1.1652017
10.1063/1.1652017
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