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Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications

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Organization
Project
240483 (ERC)
Keywords
Hirshfeld-I, Metal Organic Frameworks, Cerium oxides, MOF, protein, DFT

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Citation

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MLA
Vanpoucke, Danny et al. “Calculating Hirschfeld-I Charges in Solids: Implementation, Pitfalls and Applications.” Meeting Abstract 15th International Conference on Density Functional Theory and Its Applications. 2013. Print.
APA
Vanpoucke, D., Cottenier, S., Van Speybroeck, V., Van Damme, S., Bultinck, P., & Van Driessche, I. (2013). Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications. meeting abstract 15th International Conference on Density Functional Theory and its Applications. Presented at the 15th International Conference on Density Functional Theory and its Applications.
Chicago author-date
Vanpoucke, Danny, Stefaan Cottenier, Veronique Van Speybroeck, Sofie Van Damme, Patrick Bultinck, and Isabel Van Driessche. 2013. “Calculating Hirschfeld-I Charges in Solids: Implementation, Pitfalls and Applications.” In Meeting Abstract 15th International Conference on Density Functional Theory and Its Applications.
Chicago author-date (all authors)
Vanpoucke, Danny, Stefaan Cottenier, Veronique Van Speybroeck, Sofie Van Damme, Patrick Bultinck, and Isabel Van Driessche. 2013. “Calculating Hirschfeld-I Charges in Solids: Implementation, Pitfalls and Applications.” In Meeting Abstract 15th International Conference on Density Functional Theory and Its Applications.
Vancouver
1.
Vanpoucke D, Cottenier S, Van Speybroeck V, Van Damme S, Bultinck P, Van Driessche I. Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications. meeting abstract 15th International Conference on Density Functional Theory and its Applications. 2013.
IEEE
[1]
D. Vanpoucke, S. Cottenier, V. Van Speybroeck, S. Van Damme, P. Bultinck, and I. Van Driessche, “Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications,” in meeting abstract 15th International Conference on Density Functional Theory and its Applications, Durham, UK, 2013.
@inproceedings{4133093,
  author       = {Vanpoucke, Danny and Cottenier, Stefaan and Van Speybroeck, Veronique and Van Damme, Sofie and Bultinck, Patrick and Van Driessche, Isabel},
  booktitle    = {meeting abstract 15th International Conference on Density Functional Theory and its Applications},
  keywords     = {Hirshfeld-I,Metal Organic Frameworks,Cerium oxides,MOF,protein,DFT},
  language     = {eng},
  location     = {Durham, UK},
  pages        = {1},
  title        = {Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications},
  year         = {2013},
}