Quick Scheme for Evaluation of Atomic Charges in Arbitrary Aluminophosphate Sieves on the Basis of Electron Densities Calculated with DFT Methods

Alexandre Larin; Wilfried Mortier; Daniel Vercauteren

Quick Scheme for Evaluation of Atomic Charges in Arbitrary Aluminophosphate Sieves on the Basis of Electron Densities Calculated with DFT Methods

Alexandre Larin, Wilfried Mortier, Daniel Vercauteren

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	1695-1703
Number of pages	9
Journal	J. Comput. Chem.
Volume	28
Publication status	Published - 2007

High Performance Computing Technology Platform
Benoît Champagne (Manager)
Technological Platform High Performance Computing
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@article{35177c4f49d445e3afd14c6f8669c984,

title = "Quick Scheme for Evaluation of Atomic Charges in Arbitrary Aluminophosphate Sieves on the Basis of Electron Densities Calculated with DFT Methods",

author = "Alexandre Larin and Wilfried Mortier and Daniel Vercauteren",

year = "2007",

language = "English",

volume = "28",

pages = "1695--1703",

journal = "J. Comput. Chem.",

publisher = "John Wiley and Sons Inc.",

}

Quick Scheme for Evaluation of Atomic Charges in Arbitrary Aluminophosphate Sieves on the Basis of Electron Densities Calculated with DFT Methods

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High Performance Computing Technology Platform

Cite this