Other Publications

For a publication analysis, go to my ResearcherID published by Thomson Reuters and click on Citation Metrics.


(1) F. M. Bickelhaupt
Base-Induced Elimination Reactions - An Experimental and Theoretical Study on Gas-Phase Reactions 
Thesis, Universiteit van Amsterdam, 17 February 1993.

(2) F. M. Bickelhaupt
Base-Induced Elimination Reactions  (abstract of thesis) 
Rec. Trav. Chim. Pays-Bas 1993112, 469.

(3) F. M. Bickelhaupt
Book review of "Chemical Bonds: A Dialog" by Jeremy K. Burdett 
Angew. Chem. 1998110, 2072-2073. 
Angew. Chem. Int. Ed. 199837, 671-672.

(4) F. M. Bickelhaupt
Book review of "A Chemist's Guide to Density Functional Theory" by Wolfram Koch and Max C. Holthausen 
ChemPhysChem 20012, 257-258.

(5) F. M. Bickelhaupt
Book review of “Computational Chemistry -  A Practical Guide for Applying Techniques to Real World Problems” by David Young 
Angew. Chem. 2002114, 377-378. 
Angew. Chem. Int. Ed200241, 365.

(6) F. M. Bickelhaupt
Book review of “Essentials of Computational Chemistry -  Theories and Models” by Christopher J. Cramer 
Angew. Chem. 2003115, 395-396. 
Angew. Chem. Int. Ed. 200342, 381. 
 
(7) F. M. Bickelhaupt
Book review of “Valence Bond Methods – Theory and applications” by Gordon A. Gallup
ChemPhysChem 20034, 1027.

(8) E. J. Baerends, F. M. Bickelhaupt
The Rotation Barrier in Ethane
Nachr. Chem. 200452, 581.

(9) F. M. Bickelhaupt
Verkennen van Onbekend Terrein
VNCI Onderwijsspecial Chemie 2004, 25.

(10) M. Swart, F. M. Bickelhaupt
Computational Study on the Structure and Replication of DNA
In: Lecture Series on Computer and Computational Sciences; Brill Academic Publishers, Leiden, The Netherlands; 2005Vol. 4, pp.980-982.

(11) M. Solà, J. Poater, F. M. Bickelhaupt
Does H···H Bonding in Polycyclic Aromatic Hydrocarbons as Predicted by the AIM Theory Exist? The Case Of Biphenylene and Phenanthrene
J. Mex. Chem. Soc. 200650, 55-55.

(12) J. Poater, M. Solà, F. M. Bickelhaupt
Cuestionada la Interpretación de Bader sobre el Significado de los Puntos Críticos de Enlace
An. Quím. 2006102, 36-36.

(13) T. van der Wijst, C. Fonseca Guerra, M. Swart, F. M. Bickelhaupt, B. Lippert
Metal-Stabilized Tautomers of 1-Methyluracil and 1-Methylthymine
J. Biol. Inorg. Chem. 200712, S117-S117.

(14) F. M. Bickelhaupt –– "Attraktiv und überzeugend”; "Attractive and convincing” –– Angew. Chem. 2008120, 7284Angew. Chem. Int. Ed. 200847, 7172.See also the ongoing discussion on the debate page of Angewandte Chemie.

(15) F. M. Bickelhaupt –– "Book Review of 'A Chemist's Guide to Valence Bond Theory' by Sason S. Shaik and Philippe C. Hiberty” –– J. Comput. Chem. 200930, 2784.

(16) M. Swart, F.M. Bickelhaupt, M. Duran –– "News Item: Popularity Poll Density Functionals 2010” –– Blog, Institute of Computational Chemistry, University of Girona, February 2011.

(17) L. Visscher, P. Bolhuis, F. M.Bickelhaupt –– "Multiscale Modeling” –– Phys. Chem. Chem. Phys. 201113, 10399-10400. (Editorial for Themed Issue 13(22))

(18) J. Poater, J. J. Dannenberg, M. Sola , F. M. Bickelhaupt –– "Biphenyls, Bond Paths and Repulsions: Do the Ortho and Ortho' Substituents in Biphenyls Repel or Attract (Bind to) Each Other” –– In: Advances in Chemical Modeling; M. Putz, Ed.; Nova Science: Hauppauge, NY, 2011, pp. 139-153.

(19) M. Swart, F.M. Bickelhaupt, M. Duran –– "News Item: Popularity Poll Density Functionals 2011” –– Blog, Institute of Computational Chemistry, University of Girona2012.

(20) G. Paragi, J. Szolomajer, G. Batta, Z. Kele, Z. Kupihar, P. Padar, C. Fonseca Guerra, F. M. Bickelhaupt, L. Kovacs –– "Purinszarmazekokbol Kepzodo Szupramolekularis Rendszerek” –– Magyar Kemikusok Lapja 201267(3), 88-89.

(21) M. Swart, M. Sola , F. M. Bickelhaupt –– "A New DFT Functional Based on Spin-states and SN2 Barriers” –– AIP Conf. Proc. 20121504, 703-706.

(22) F. M. Bickelhaupt –– "Stacked DNA-Base Quartets: Structure, Chemistry and Computational Intricacies” –– Procedia Comput. Sci. 20121, 1147-1148.

(23) M. Swart, F.M. Bickelhaupt, M. Duran –– "News Item: Popularity Poll Density Functionals 2012” –– Blog, Institute of Computational Chemistry, University of Girona2013.

(24) L. P. Wolters, F.M. Bickelhaupt, –– Cover Profile: Nonlinear d10-ML2 Transition-Metal Complexes –– ChemistryOpen 2013, 2, 78.

(25) F. M. Bickelhaupt –– "Hypervalent Carbon: Violation of the Octet Rule" –– Natuurkundige Voordrachten Nieuwe Reeks 2014, 92, 63-68 (Jaarboek Koninklijke Maatschappij voor Natuurkunde Diligentia).

(26) C. Fonseca Guerra, J. Poater, M. Swart, F. M. Bickelhaupt –– "Alkalimetal Controlled DNA Nanoswitch" –– J. Biol. Inorg. Chem. 2014, 19(S2), S762-S762.

(27) B. Lippert, C. Fonseca Guerra, P. J. Sanz Miguel, A. Cebollada, F. M. Bickelhaupt –– "On the Structural Variability of Exocyclic Amino Groups in Free and Metalated Cytosine Nucleobases” –– J. Biol. Inorg. Chem. 2014, 19(S2), S710-S710.

(28) E. C. M. Ording-Wenker, M. van der Plas, M. A. Siegler, F. M. Bickelhaupt, C. Fonseca Guerra, E. Bouwman –– "Thermodynamics of the Cu(II) μ-thiolate and Cu(I) Disulfide Redox Equilibrium: A Combined Experimental and Theoretical Study” –– J. Biol. Inorg. Chem. 2014, 19(S2), S859-S859.

(29) I. Sinha, C. Fonseca Guerra, F. M. Bickelhaupt, J. Müller –– "Metal-Mediated Base Pairs with 6-Substituted Purines: A Combined Experimental and Computational Approach” –– J. Biol. Inorg. Chem. 2014, 19(S2), S815-S815.

(30) M. Swart, F. M. Bickelhaupt, M. Duran –– "Five Years of Polling the Computational Chemistry Community” –– Nature Chemistry | The Sceptical Chymist 2014, November 6 (Senior Editor: G. Armstrong).   

(31) E. Daiann Sosa Carrizo, F. M. Bickelhaupt, I. Fernandez ––– “Cover Profile: Factors Controlling b-Elimination Reactions in Group 10 Complexes” ––– Chem. Eur. J. 201521, 14237-14237

(32) M. Swart, F. M. Bickelhaupt, M. Duran ––– "News Item: DFT2015 Poll" ––– Blog, Institute of Computational Chemistry, University of Girona, Catalonia, Spain, 2015.

(33) R. van Leeuwen, J. Neugebauer. Visscher, F. M. Bickelhaupt ––– "Editorial for PCCP themed issue "Developments in Density Functional Theory”" ––– Phys. Chem. Chem. Phys. 2016, 18, 20864-20867

(34) M. Swart, F. M. Bickelhaupt, M. Duran ––– "News Item: DFT2016 Poll" ––– Blog, Institute of Computational Chemistry, University of Girona, Catalonia, Spain, 2016.


 

© Bickelhaupt 1997-1999, 1999-2003, 2003-2014, 2014-2017