Other Publications

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


(39) F. M. Bickelhaupt ––– "Carbon: Ubiquitous and Mysterious Connector of the Chemical World" ––– Chem. Eur. J. 201925, online (Viewpoint).

(38) E. Derat, B. de Bruin, B. Rentier, L. Kamerlin, M. van der Kamp, M. Gruden, M. Robert, M. Linares, P. Wittung-Stafshede, S. Hay, S. Wells, U. Olsbye, F. M. Bickelhaupt ––– "Publications scientifiques: les pièges du Plan S (Engl.: Scientific publications: the pitfalls of Plan S)" ––– Le Monde 2018, 9 October (web) and 10 October (print). 

(37) T. A. Hamlin, M. Swart, F. M. Bickelhaupt ––– "Cover Profile: Nucleophilic Substitution (SN2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent" ––– ChemPhysChem 201819, 1248-1248.   

(36) M. Swart, F. M. Bickelhaupt, M. Duran ––– "News Item: DFT2017 Poll" ––– Blog, Institute of Computational Chemistry, University of Girona, Catalonia, Spain, 2017.  

(35) M. Bortoli, M. Torsello, F. M. Bickelhaupt, L. Orian ––– "Cover Profile: Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site" ––– ChemPhysChem 201718, 2950-2950.  

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

(33) R. van Leeuwen, J. Neugebauer. Visscher, F. M. Bickelhaupt ––– "Editorial for PCCP themed issue "Developments in Density Functional Theory”" ––– Phys. Chem. Chem. Phys. 201618, 20864-20867

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

(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

(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).   

(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. 201419(S2), S815-S815.

(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. 201419(S2), S859-S859.

(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. 201419(S2), S710-S710.

(26) C. Fonseca Guerra, J. Poater, M. Swart, F. M. Bickelhaupt –– "Alkalimetal Controlled DNA Nanoswitch" –– J. Biol. Inorg. Chem. 201419(S2), S762-S762.

(25) F. M. Bickelhaupt –– "Hypervalent Carbon: Violation of the Octet Rule" –– Natuurkundige Voordrachten Nieuwe Reeks 201492, 63-68 (Jaarboek Koninklijke Maatschappij voor Natuurkunde Diligentia).

(24) L. P. Wolters, F.M. Bickelhaupt, –– Cover Profile: Nonlinear d10-ML2 Transition-Metal Complexes –– ChemistryOpen 20132, 78.

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

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

(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.

(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.

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

(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.

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

(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.

(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.

(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.

(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.

(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.

(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.

(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.

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

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

(7) F. M. Bickelhaupt –– "Book review of “Valence Bond Methods – Theory and applications” by Gordon A. Gallup" –– ChemPhysChem 20034, 1027.

(6) F. M. Bickelhaupt –– "Book review of “Essentials of Computational Chemistry -  Theories and Models” by Christopher J. Cramer" –– Angew. Chem. 2003115, 395-396Angew. Chem. Int. Ed. 200342, 381.

(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, 377-378Angew. Chem. Int. Ed200241, 365.

(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.

(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.

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

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












© Bickelhaupt 1997-1999, 1999-2003, 2003-2014, 2014-2018