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

Research output: Contribution to journalArticle

Original languageEnglish
Pages (from-to)1695-1703
Number of pages9
JournalJ. Comput. Chem.
Volume28
Publication statusPublished - 2007

Cite this

@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 = "Journal of Computational Chemistry",
issn = "0192-8651",
publisher = "John Wiley and Sons Inc.",

}

TY - JOUR

T1 - Quick Scheme for Evaluation of Atomic Charges in Arbitrary Aluminophosphate Sieves on the Basis of Electron Densities Calculated with DFT Methods

AU - Larin, Alexandre

AU - Mortier, Wilfried

AU - Vercauteren, Daniel

PY - 2007

Y1 - 2007

M3 - Article

VL - 28

SP - 1695

EP - 1703

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

SN - 0192-8651

ER -