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Paul Geerlings

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2008
7EEG. Van Lier, C. P. Ewels, Paul Geerlings: Automated determination of chemical functionalisation addition routes based on magnetic susceptibility and nucleus independent chemical shifts. Computer Physics Communications 179(1-3): 165-170 (2008)
6EEMichel Mareschal, Paul Geerlings: Preface. Computer Physics Communications 179(1-3): (2008)
5EEMiquel Torrent-Sucarrat, Pedro Salvador, Miquel Solà, Paul Geerlings: The hardness kernel as the basis for global and local reactivity indices. Journal of Computational Chemistry 29(7): 1064-1072 (2008)
2007
4EEMiquel Torrent-Sucarrat, Pedro Salvador, Paul Geerlings, Miquel Solà: On the quality of the hardness kernel and the Fukui function to evaluate the global hardness. Journal of Computational Chemistry 28(2): 574-583 (2007)
2003
3EEFrank De Proft, Ricardo Vivas-Reyes, Anik Peeters, Christian Van Alsenoy, Paul Geerlings: Hirshfeld partitioning of the electron density: Atomic dipoles and their relation with functional group properties. Journal of Computational Chemistry 24(4): 463-470 (2003)
2002
2EEFrank De Proft, Christian Van Alsenoy, Anik Peeters, Wilfried Langenaeker, Paul Geerlings: Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density. Journal of Computational Chemistry 23(12): 1198-1209 (2002)
2000
1EEFrederik J. Tielens, Wilfried Langenaeker, Ahmet R. Ocakoglu, Paul Geerlings: Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites. Journal of Computational Chemistry 21(11): 909-922 (2000)

Coauthor Index

1Christian Van Alsenoy [2] [3]
2C. P. Ewels [7]
3Wilfried Langenaeker [1] [2]
4G. Van Lier [7]
5Michel Mareschal [6]
6Ahmet R. Ocakoglu [1]
7Anik Peeters [2] [3]
8Frank De Proft [2] [3]
9Pedro Salvador [4] [5]
10Miquel Solà [4] [5]
11Frederik J. Tielens [1]
12Miquel Torrent-Sucarrat [4] [5]
13Ricardo Vivas-Reyes [3]

Colors in the list of coauthors

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)