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Partitioning of the molecular density matrix over atoms and bonds

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HPC-UGent: the central High Performance Computing infrastructure of Ghent University
Keywords
Chemical bond, density matrix, GAUSSIAN-BASIS SETS, VALENCE INDEXES, POPULATION ANALYSIS, CHARGE-DENSITIES, WAVE-FUNCTIONS, ORDER, DECOMPOSITION, LOCALIZATION, DEPENDENCE, FRAGMENTS

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Citation

Please use this url to cite or link to this publication:

Chicago
Vanfleteren, Diederik, Dimitri Van Neck, Patrick Bultinck, Paul W Ayers, and Michel Waroquier. 2010. “Partitioning of the Molecular Density Matrix over Atoms and Bonds.” Journal of Chemical Physics 132 (16).
APA
Vanfleteren, D., Van Neck, D., Bultinck, P., Ayers, P. W., & Waroquier, M. (2010). Partitioning of the molecular density matrix over atoms and bonds. JOURNAL OF CHEMICAL PHYSICS, 132(16).
Vancouver
1.
Vanfleteren D, Van Neck D, Bultinck P, Ayers PW, Waroquier M. Partitioning of the molecular density matrix over atoms and bonds. JOURNAL OF CHEMICAL PHYSICS. 2010;132(16).
MLA
Vanfleteren, Diederik, Dimitri Van Neck, Patrick Bultinck, et al. “Partitioning of the Molecular Density Matrix over Atoms and Bonds.” JOURNAL OF CHEMICAL PHYSICS 132.16 (2010): n. pag. Print.
@article{802659,
  articleno    = {164111},
  author       = {Vanfleteren, Diederik and Van Neck, Dimitri and Bultinck, Patrick and Ayers, Paul W and Waroquier, Michel},
  issn         = {0021-9606},
  journal      = {JOURNAL OF CHEMICAL PHYSICS},
  keyword      = {Chemical bond,density matrix,GAUSSIAN-BASIS SETS,VALENCE INDEXES,POPULATION ANALYSIS,CHARGE-DENSITIES,WAVE-FUNCTIONS,ORDER,DECOMPOSITION,LOCALIZATION,DEPENDENCE,FRAGMENTS},
  language     = {eng},
  number       = {16},
  pages        = {10},
  title        = {Partitioning of the molecular density matrix over atoms and bonds},
  url          = {http://dx.doi.org/10.1063/1.3394018},
  volume       = {132},
  year         = {2010},
}

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