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F. Matthias Bickelhaupt Coauthor index pubzone.org

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17Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLIsrael Fernández, F. Matthias Bickelhaupt: Alder-ene reaction: Aromaticity and activation-strain analysis. Journal of Computational Chemistry 33(5): 509-516 (2012)
2011
16Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLJuan M. Ruiz, R. Joshua Mulder, Célia Fonseca Guerra, F. Matthias Bickelhaupt: Steric effects on alkyl cation affinities of maingroup-element hydrides. Journal of Computational Chemistry 32(4): 681-688 (2011)
15Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLMarcel Swart, Miquel Solà, F. Matthias Bickelhaupt: Inter- and intramolecular dispersion interactions. Journal of Computational Chemistry 32(6): 1117-1127 (2011)
2010
14Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLF. Matthias Bickelhaupt: Stacked DNA-base quartets: Structure, chemistry and computational intricacies. Procedia CS 1(1): 1147-1148 (2010)
2009
13Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLF. Matthias Bickelhaupt: A chemist's guide to valence bond theory. Journal of Computational Chemistry 30(16): 2784 (2009)
12Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLAlexandra T. P. Carvalho, Pedro Alexandrino Fernandes, Marcel Swart, Joost N. P. Van Stralen, F. Matthias Bickelhaupt, Maria João Ramos: Role of the variable active site residues in the function of thioredoxin family oxidoreductases. Journal of Computational Chemistry 30(5): 710-724 (2009)
2008
11Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLWillem-Jan Van Zeist, Célia Fonseca Guerra, F. Matthias Bickelhaupt: PyFrag - Streamlining your reaction path analysis. Journal of Computational Chemistry 29(2): 312-315 (2008)
10Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLMarcel Swart, F. Matthias Bickelhaupt: QUILD: QUantum-regions interconnected by local descriptions. Journal of Computational Chemistry 29(5): 724-734 (2008)
2007
9Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLF. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra: Covalent versus ionic bonding in alkalimetal fluoride oligomers. Journal of Computational Chemistry 28(1): 238-250 (2007)
8Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLMarcel Swart, Miquel Solà, F. Matthias Bickelhaupt: Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods. Journal of Computational Chemistry 28(9): 1551-1560 (2007)
2006
7Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLMarcel Swart, Ernst Rösler, F. Matthias Bickelhaupt: Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation. Journal of Computational Chemistry 27(13): 1486-1493 (2006)
2005
6Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLG. Theodoor De Jong, Daan P. Geerke, Axel Diefenbach, Miquel Solà, F. Matthias Bickelhaupt: Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study. Journal of Computational Chemistry 26(10): 1006-1020 (2005)
5Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLA. Patrícia Bento, Miquel Solà, F. Matthias Bickelhaupt: Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si). Journal of Computational Chemistry 26(14): 1497-1504 (2005)
2004
4Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLCélia Fonseca Guerra, Jan-Willem Handgraaf, Evert Jan Baerends, F. Matthias Bickelhaupt: Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis. Journal of Computational Chemistry 25(2): 189-210 (2004)
2001
3Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLG. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends, Célia Fonseca Guerra, Stan J. A. van Gisbergen, Jaap G. Snijders, T. Ziegler: Chemistry with ADF. Journal of Computational Chemistry 22(9): 931-967 (2001)
1999
2Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLF. Matthias Bickelhaupt: Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts. Journal of Computational Chemistry 20(1): 114-128 (1999)
1995
1Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLF. Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer: Theoretical Investigation of the Relative Stabilites of XSSX and X2SS Isomers (X=F, C1, H, and CH3. Journal of Computational Chemistry 16(4): 465-477 (1995)

Coauthor Index

1Evert Jan Baerends [3] [4]
2A. Patrícia Bento [5]
3Alexandra T. P. Carvalho [12]
4Axel Diefenbach [6]
5Pedro Alexandrino Fernandes [12]
6Israel Fernández [17]
7Daan P. Geerke [6]
8Stan J. A. van Gisbergen [3]
9Célia Fonseca Guerra [3] [4] [9] [11] [16]
10Jan-Willem Handgraaf [4]
11G. Theodoor De Jong [6]
12R. Joshua Mulder [16]
13Maria João Ramos [12]
14Ernst Rösler [7]
15Juan M. Ruiz [16]
16Paul von Ragué Schleyer [1]
17Jaap G. Snijders [3]
18Miquel Solà [1] [5] [6] [8] [9] [15]
19Joost N. P. Van Stralen [12]
20Marcel Swart [7] [8] [10] [12] [15]
21G. te Velde [3]
22Willem-Jan Van Zeist [11]
23T. Ziegler [3]

Colors in the list of coauthors

Last update Sun May 27 04:04:01 2012 CET by the DBLP TeamThis material is Open Data Data released under the ODC-BY 1.0 license — See also our legal information page