Other Publications

(50) Cover Profile: A Quantitative MO Perspective of the Chalcogen Bond

L. de Azevedo Santos, S. C. C. van der Lubbe, T. A. Hamlin, T. C. Ramalho, F. M. Bickelhaupt 

ChemistryOpen 2021, 21, 1080-1080 (Cover)


(49) Foreword

F. M. Bickelhaupt 

Aromaticity; I. Fernandez, Ed.; Elsevier: Amsterdam, 2021, in press.


(48) Theoretische Chemie

F. M. Bickelhaupt 

Almanak Amsterdams Chemisch Dispuut 75 Jaar 2020, 142-143


(47) Cover Profile: Through-Space Polar–π Interactions in 2,6- Diarylthiophenols

J. Jian, J. Poater, R. Hammink, P. Tinnemans, C. J. McKenzie, F. M. Bickelhaupt, J. Mecinovic 

ChemPhysChem 2020, 21, 1080-1080 (Cover) (Special Collection on Molecular Recognition)


(46) News Item: DFT2019 Poll

M. Swart, F. M. Bickelhaupt, M. Duran

Blog, Institute of Computational Chemistry, University of Girona, Catalonia, Spain, 2020 (10 years DFT poll)


(45) Special Collection: Computational Chemistry

Miquel Solà, F. De Proft, F. M. Bickelhaupt 

ChemistryOpen 2019, 8, 814-816


(44) Cover Profile: Designing Self‐Assembled Rosettes: Why Ammeline is a Superior Building Block to Melamine

A. Nicolai Petelski, C. Fonseca Guerra 

ChemistryOpen 2019, 8, 134-134


(43) Kamerleden, de toekomst van het Nederlands ligt in uw handen (Engl.: Members of the Parliament, the future of the Dutch language is in your hands)"

Paul Abels, Remieg Aerts, Wim van Anrooij, Arnoud Arntz, Amand Berteloot, Matthias Bickelhaupt, Hans Blom, Rens Bod, Jan Boersema, Anna Bosman, Koen De Bosschere, Hans Boutellier, Erica van Boven, Hugo Brems, Gabriël van den Brink, Luc Brunsveld, Adam Bžoch, Paul Cobben, Floris Cohen, Gert De Cooman, Norbert Corver, Piet Couttenier, Maghiel van Crevel, Trudy Dehue, Gita Deneckere, Yra van Dijk, Faustina Doufikar-Aerts, Douwe Draaisma, Pieter Duvenhage, Olga Fischer, Bas de Gaay Fortman, Hans Franken, Willem Frijhoff, Jaap Goedegebuure, Beatrice de Graaf, Gjalt de Graaf, Ralf Grüttemeier, Edward de Haan, Emily Hemelrijk, Philippe Hiligsmann, Rob van Houwelingen, Marli Huijer, Annelies Huygen, Carel Jansen, Lotte Jensen, Goffe Jensma, Peter de Jong, Barbara Kalla, Jacques Van Keymeulen, Robert Kirsner, Maarten Kleinhans, Trudie Knijn, Jerzy Koch, Hans van Koningsbrugge, Jan Konst, Kees van der Kooi, Ruud Koole, Folkert Kuiken, Lisa Kuitert, Victor Lamme, Klaas Landsman, Elisabeth Leijnse, Maria Leuker, Pim Levelt, Jan Lokin, Jom Luiten, Frans van Lunteren, Willy Martin, Marita Mathijsen, Lut Missinne, Pieter Muysken, Frits van Oostrom, John van Opstal, Willem Otterspeer, Sebastiaan Overeem, Herman Pleij, Christianne de Poot, Lukas Prakke, Jelle Reumer, Hans Roldanus, Johan Rooryck, Paul Scheffer, Paul van der Schoot, Rint Sijbesma, Nicoline van der Sijs, Rint Sybesma, Yves T’Sjoen, Henk Tijms, Pieter Tordoir, Rik Torfs, Margo Trappenburg, Henk Verkuyl,  Philip Vermoortel, Sacco de Vries, Hein Aalders, Ruud Abma, Frits Abrahams,  Gerrit Korthals Altes,  René Appel, Erdal Balci, Frits Barend,  Benno Barnard, Presley Bergen, Frits Bolkestein,  René ten Bos, Elsie de Brauw, Walter van den Broeck, Caspar Broeksma, Jan Brokken, Paul Claes, Job Cohen, Thera Coppens, Niels Cornelissen, Hans Croiset, Luc Devoldere, Adriaan van Dis, Elma Drayer, Anna Enquist, Jan Fontijn, Geurt Gaarlandt, John Jansen van Galen, Piet Gerbrandy, Ger Groot, Wim Hazeu, Kristien Hemmerechts, Tilly Hermans, Joke Hermsen, Arnold Heumakers,  Louis Hoeks, Bert Janssens,  Stine Jensen, Atte Jongstra,  Marc Josten, Jort Kelder, Tom Kellerhuis, Mensje van Keulen,  Liesbeth Koenen, Jacob Kohnstamm, Guus Kuijer, Carel ter Linden, Bart Van Loo, Geert Mak, Jan Marijnissen, Nicolaas Matsier, Vonne van der Meer, Frits van der Meij, Dick Meijer, Aad Meinderts, Egbert Myjer, Erwin Mortier, Charlotte Mutsaers, Ramsey Nasr, Nelleke Noordervliet, Huub Oosterhuis, Henk van Os, Willem Jan Otten, Bram Peper, Tiziano Perez, Yves Petry, Ilja Pfeijffer, Annette Portegies,  Jean Pierre Rawie,  David Van Reybrouck, Beatrijs Ritsema,  Daan Roovers, Felix Rottenberg, Hans Schnitzler, Johan Simons, René van Stipriaan, Naema Tahir, Peter Terrin, Ed van Thijn, Aleid Truijens, Manon Uphoff, Meral Uslu, Maarten van Veen, Thomas Verbogt, Maria Vlaar, Pietha de Voogd, Arend Jan Heerma van Voss,  Ward Wijndelts, Mark Wildschut, Agaath Witteman

Volkskrant. 2019 29 March


(42) Carbon: Ubiquitous and Mysterious Connector of the Chemical World

F. M. Bickelhaupt

Chem. Eur. J. 2019, 25, 19-19 (Viewpoint)


(41) News Item: DFT2018 Poll

M. Swart, F. M. Bickelhaupt, M. Duran 

Blog, Institute of Computational Chemistry, University of Girona, Catalonia, Spain, 2018


(40) Publications scientifiques: les pièges du Plan S (Engl.: Scientific publications: the pitfalls of Plan S)

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 

Le Monde 2018, 9 October (web) and 10 October (print)


(39) Cover Profile: Nucleophilic Substitution (SN2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent

T. A. Hamlin, M. Swart, F. M. Bickelhaupt

ChemPhysChem 2018, 19, 1248-1248


(38) News Item: DFT2017 Poll

M. Swart, F. M. Bickelhaupt, M. Duran 

Blog, Institute of Computational Chemistry, University of Girona, Catalonia, Spain, 2017


(37) Cover Profile: Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site

M. Bortoli, M. Torsello, F. M. Bickelhaupt, L. Orian

ChemPhysChem 2017, 18, 2950-2950


(36) Cover Profile: Hydrogen‐Bond Strength of CC and GG Pairs Determined by Steric Repulsion: Electrostatics and Charge Transfer Overruled

S. C. C. van der Lubbe, C. Fonseca Guerra

Chem. Eur. J. 2017, 23, 10234-10234


(35) News Item: DFT2016 Poll

M. Swart, F. M. Bickelhaupt, M. Duran

Blog, Institute of Computational Chemistry, University of Girona, Catalonia, Spain, 2016


(34) Editorial for PCCP themed issue "Developments in Density Functional Theory

R. van Leeuwen, J. Neugebauer. Visscher, F. M. Bickelhaupt 

Phys. Chem. Chem. Phys. 2016, 18, 20864-20867


(33) Cover Profile: The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance‐Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics

L. Guillaumes, S. Simon, C. Fonseca Guerra

ChemistryOpen, 2015, 4, 198-198


(32) News Item: DFT2015 Poll

M. Swart, F. M. Bickelhaupt, M. Duran 

Blog, Institute of Computational Chemistry, University of Girona, Catalonia, Spain, 2015


(31) Cover Profile: Factors Controlling b-Elimination Reactions in Group 10 Complexes

E. Daiann Sosa Carrizo, F. M. Bickelhaupt, I. Fernandez

Chem. Eur. J. 2015, 21, 14237-14237


(30) Five Years of Polling the Computational Chemistry Community

M. Swart, F. M. Bickelhaupt, M. Duran

Nature Chemistry | The Sceptical Chymist 2014, November 6 (Senior Editor: G. Armstrong)


(29) Metal-Mediated Base Pairs with 6-Substituted Purines: A Combined Experimental and Computational Approach

I. Sinha, C. Fonseca Guerra, F. M. Bickelhaupt, J. Müller

J. Biol. Inorg. Chem. 2014, 19(S2), S815-S815


(28) Thermodynamics of the Cu(II) μ-thiolate and Cu(I) Disulfide Redox Equilibrium: A Combined Experimental and Theoretical Study

E. C. M. Ording-Wenker, M. van der Plas, M. A. Siegler, F. M. Bickelhaupt, C. Fonseca Guerra, E. Bouwman

J. Biol. Inorg. Chem. 2014, 19(S2), S859-S859


(27) On the Structural Variability of Exocyclic Amino Groups in Free and Metalated Cytosine Nucleobases

B. Lippert, C. Fonseca Guerra, P. J. Sanz Miguel, A. Cebollada, F. M. Bickelhaupt

J. Biol. Inorg. Chem. 2014, 19(S2), S710-S710


(26) Alkalimetal Controlled DNA Nanoswitch

C. Fonseca Guerra, J. Poater, M. Swart, F. M. Bickelhaupt

J. Biol. Inorg. Chem. 2014, 19(S2), S762-S762


(25) Hypervalent Carbon: Violation of the Octet Rule

F. M. Bickelhaupt

Natuurkundige Voordrachten Nieuwe Reeks 2014, 92, 63-68 (Jaarboek Koninklijke Maatschappij voor Natuurkunde Diligentia)


(24) Cover Profile: Nonlinear d10-ML2 Transition-Metal Complexes 

L. P. Wolters, F.M. Bickelhaupt

ChemistryOpen 2013, 2, 78


(23) News Item: Popularity Poll Density Functionals 2012

M. Swart, F.M. Bickelhaupt, M. Duran

Blog, Institute of Computational Chemistry, University of Girona, 2013


(22) Stacked DNA-Base Quartets: Structure, Chemistry and Computational Intricacies

F. M. Bickelhaupt

Procedia Comput. Sci. 2012, 1, 1147-1148


(21) A New DFT Functional Based on Spin-states and SN2 Barriers

M. Swart, M. Sola , F. M. Bickelhaupt

AIP Conf. Proc. 2012, 1504, 703-706


(20) Purinszarmazekokbol Kepzodo Szupramolekularis Rendszerek

G. Paragi, J. Szolomajer, G. Batta, Z. Kele, Z. Kupihar, P. Padar, C. Fonseca Guerra, F. M. Bickelhaupt, L. Kovacs

Magyar Kemikusok Lapja 2012, 67(3), 88-89


(19) News Item: Popularity Poll Density Functionals 2011

M. Swart, F.M. Bickelhaupt, M. Duran

Blog, Institute of Computational Chemistry, University of Girona2012


(18) Biphenyls, Bond Paths and Repulsions: Do the Ortho and Ortho' Substituents in Biphenyls Repel or Attract (Bind to) Each Other

J. Poater, J. J. Dannenberg, M. Sola , F. M. Bickelhaupt

In: Advances in Chemical Modeling; M. Putz, Ed.; Nova Science: Hauppauge, NY, 2011, pp. 139-153


(17) Multiscale Modeling

L. Visscher, P. Bolhuis, F. M.Bickelhaupt

Phys. Chem. Chem. Phys. 2011, 13, 10399-10400 (Editorial for Themed Issue 13(22))


(16) News Item: Popularity Poll Density Functionals 2010

M. Swart, F.M. Bickelhaupt, M. Duran

Blog, Institute of Computational Chemistry, University of Girona, February 2011


(15) Book Review of 'A Chemist's Guide to Valence Bond Theory' by Sason S. Shaik and Philippe C. Hiberty

F. M. Bickelhaupt

J. Comput. Chem. 2009, 30, 2784


(14) Attraktiv und überzeugend"; "Attractive and convincing

F. M. Bickelhaupt

Angew. Chem. 2008, 120, 7284Angew. Chem. Int. Ed. 2008, 47, 7172


(13) Metal-Stabilized Tautomers of 1-Methyluracil and 1-Methylthymine

T. van der Wijst, C. Fonseca Guerra, M. Swart, F. M. Bickelhaupt, B. Lippert 

J. Biol. Inorg. Chem. 2007, 12, S117-S117


(12) Cuestionada la Interpretación de Bader sobre el Significado de los Puntos Críticos de Enlace

J. Poater, M. Solà, F. M. Bickelhaupt 

An. Quím. 2006, 102, 36-36


(11) Does H···H Bonding in Polycyclic Aromatic Hydrocarbons as Predicted by the AIM Theory Exist? The Case Of Biphenylene and Phenanthrene

M. Solà, J. Poater, F. M. Bickelhaupt 

J. Mex. Chem. Soc. 2006, 50, 55-55


(10) Computational Study on the Structure and Replication of DNA

M. Swart, F. M. Bickelhaupt 

In: Lecture Series on Computer and Computational Sciences; Brill Academic Publishers, Leiden, The Netherlands; 2005, Vol. 4, pp.980-982


(9) Verkennen van Onbekend Terrein

F. M. Bickelhaupt 

VNCI Onderwijsspecial Chemie 2004, 25


(8) The Rotation Barrier in Ethane

E. J. Baerends, F. M. Bickelhaupt 

Nachr. Chem. 2004, 52, 581


(7) Book review of “Valence Bond Methods – Theory and applications by Gordon A. Gallup

F. M. Bickelhaupt 

ChemPhysChem 2003, 4, 1027


(6) Book review of “Essentials of Computational Chemistry -  Theories and Models” by Christopher J. Cramer

F. M. Bickelhaupt

Angew. Chem. 2003, 115, 395-396Angew. Chem. Int. Ed. 2003, 42, 381


(5) Book review of “Computational Chemistry -  A Practical Guide for Applying Techniques to Real World Problems by David Young

F. M. Bickelhaupt

Angew. Chem. 2002, 114, 377-378Angew. Chem. Int. Ed. 2002, 41, 365


(4) Book review of "A Chemist's Guide to Density Functional Theory" by Wolfram Koch and Max C. Holthausen

F. M. Bickelhaupt

ChemPhysChem 2001, 2, 257-258


(3) Book review of "Chemical Bonds: A Dialog" by Jeremy K. Burdett" 

F. M. Bickelhaupt

Angew. Chem. 1998, 110, 2072-2073; Angew. Chem. Int. Ed. 1998, 37, 671-672


(2) Base-Induced Elimination Reactions  (abstract of thesis)

F. M. Bickelhaupt

Rec. Trav. Chim. Pays-Bas 1993, 112, 469


(1) Base-Induced Elimination Reactions - An Experimental and Theoretical Study on Gas-Phase Reactions

F. M. Bickelhaupt

PhD Thesis, Universiteit van Amsterdam, 17 February 1993