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Qiang Cui

Name: dblp XML data dump
Creator: Schloss Dagstuhl - Leibniz Center for Informatics
Published: 1993
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: dblp, XML, computer science, scholarly publications, metadata

◀ ▶ joint publications with Marcus Elstner

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Publications

2019
[j17]
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  dblp key:
  - journals/jcc/VujovicHSGECG19
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  persistent URL:
  - https://dblp.org/rec/journals/jcc/VujovicHSGECG19
Milena Vujovic, Mioy Huynh, Sebastian Steiner, Pablo García-Fernández, Marcus Elstner, Qiang Cui, Maja Gruden:
Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model. J. Comput. Chem. 40(2): 400-413 (2019)
2017
[j16]
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  dblp key:
  - journals/jcc/GrudenAJSZCE17
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  persistent URL:
  - https://dblp.org/rec/journals/jcc/GrudenAJSZCE17
Maja Gruden, Ljubica Andjeklovic, Akkarapattiakal Kuriappan Jissy, Stepan Stepanovic, Matija Zlatar, Qiang Cui, Marcus Elstner:
Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules. J. Comput. Chem. 38(25): 2171-2185 (2017)
2003
[j1]
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  - journals/jcc/ElstnerCMKFK03
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  - https://dblp.org/rec/journals/jcc/ElstnerCMKFK03
Marcus Elstner, Qiang Cui, Petra Munih, Efthimios Kaxiras, Thomas Frauenheim, Martin Karplus:
Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis. J. Comput. Chem. 24(5): 565-581 (2003)

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