F. Matthias Bickelhaupt

2009
12	EE	Alexandra 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
11	EE	Willem-Jan Van Zeist, Célia Fonseca Guerra, F. Matthias Bickelhaupt: PyFrag - Streamlining your reaction path analysis. Journal of Computational Chemistry 29(2): 312-315 (2008)
10	EE	Marcel Swart, F. Matthias Bickelhaupt: QUILD: QUantum-regions interconnected by local descriptions. Journal of Computational Chemistry 29(5): 724-734 (2008)
2007
9	EE	F. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra: Covalent versus ionic bonding in alkalimetal fluoride oligomers. Journal of Computational Chemistry 28(1): 238-250 (2007)
8	EE	Marcel 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
7	EE	Marcel 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
6	EE	G. 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)
5	EE	A. 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
4	EE	Célia 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
3	EE	G. 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
2	EE	F. 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
1		F. 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

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