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Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices

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HPC-UGent: the central High Performance Computing infrastructure of Ghent University
Keywords
atoms-in-molecules, electron sharing index, PDI, Multicenter index, aromaticity, atomic partition, MULTICENTER BOND INDEXES, POPULATION ANALYSIS, WAVE-FUNCTIONS, LOCALIZATION FUNCTION, QUANTITATIVE CONCEPT, CORRELATED LEVEL, OVERLAP POPULATIONS, Hirshfeld, ORBITAL METHODS, CHARGE-DENSITIES, fuzzy-atom, CHEMICAL-BONDS

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Citation

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

Chicago
Heyndrickx, Wouter, Pedro Salvador, Patrick Bultinck, Miquel Sola, and Eduard Matito. 2011. “Performance of 3D-space-based Atoms-in-molecules Methods for Electronic Delocalization Aromaticity Indices.” Journal of Computational Chemistry 32 (3): 386–395.
APA
Heyndrickx, W., Salvador, P., Bultinck, P., Sola, M., & Matito, E. (2011). Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices. JOURNAL OF COMPUTATIONAL CHEMISTRY, 32(3), 386–395.
Vancouver
1.
Heyndrickx W, Salvador P, Bultinck P, Sola M, Matito E. Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices. JOURNAL OF COMPUTATIONAL CHEMISTRY. 2011;32(3):386–95.
MLA
Heyndrickx, Wouter, Pedro Salvador, Patrick Bultinck, et al. “Performance of 3D-space-based Atoms-in-molecules Methods for Electronic Delocalization Aromaticity Indices.” JOURNAL OF COMPUTATIONAL CHEMISTRY 32.3 (2011): 386–395. Print.
@article{1113750,
  author       = {Heyndrickx, Wouter and Salvador, Pedro and Bultinck, Patrick and Sola, Miquel and Matito, Eduard},
  issn         = {0192-8651},
  journal      = {JOURNAL OF COMPUTATIONAL CHEMISTRY},
  keyword      = {atoms-in-molecules,electron sharing index,PDI,Multicenter index,aromaticity,atomic partition,MULTICENTER BOND INDEXES,POPULATION ANALYSIS,WAVE-FUNCTIONS,LOCALIZATION FUNCTION,QUANTITATIVE CONCEPT,CORRELATED LEVEL,OVERLAP POPULATIONS,Hirshfeld,ORBITAL METHODS,CHARGE-DENSITIES,fuzzy-atom,CHEMICAL-BONDS},
  language     = {eng},
  number       = {3},
  pages        = {386--395},
  title        = {Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices},
  url          = {http://dx.doi.org/10.1002/jcc.21621},
  volume       = {32},
  year         = {2011},
}

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