Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace

Jordi Poater , Miquel Solà , F.M. Bickelhaupt
Anales de la Real Sociedad Española de Química ( 3) 36

2006
On the Structural Variability of Exocyclic Amino Groups in Free and Metalated Cytosine Nucleobases

A. Cebollada , B. Lippert , C.F. Guerra , P.J.S. Miguel
Journal of Biological Inorganic Chemistry 19 ( 19)

2014
Metal-mediated base pairs with 6-substituted purines: A combined experimental and computational approach

C.F. Guerra , J. Muller , F.M. Bickelhaupt , I. Sinha
Journal of Biological Inorganic Chemistry 19 ( 19)

2014
Tackling DNA with Density Functional Theory: development and application of parallel and order-N DFT methods

E.J. Baerends , C. Fonseca Guerra , J.G. Snijders , F.M. Bickelhaupt
Host Publication 17 -61

2002
Alkalimetal Controlled DNA Nanoswitch

J. Poater , C. Fonseca Guerra , M. Swart , F.M. Bickelhaupt
Journal of Biological Inorganic Chemistry - JBIC ( 19)

2014
Cooperativity in the self-assembly of guanine and xanthine molecules in ribbon structures

C.F. Guerra , G. Paragi , F.M. Bickelhaupt
Abstract of Papers of the American Chemical Society 248

2014
Effect of metal variation on oxidative addition: Perspectives from the activation strain model

L.P. Wolters , F.M. Bickelhaupt , W.J. van Zeist
Abstract of Papers of the American Chemical Society 245

2013
Activation of the C-X bond by palladium: Ab initio benchmarks and evaluation of DFT

F.M. Bickelhaupt , G.T. de Jong
Abstracts of Papers - American Chemical Society 231

2006
Methyl Cation Affinities of Neutral and Anionic Maingroup-Element Hydrides: Trends Across the Periodic Table and Correlation with Proton Affinities

F.M. Bickelhaupt , R.J. Mulder , C. Fonseca Guerra
The Journal of Physical Chemistry ( 114) 7604 -7608

2010
Fragment-oriented design of catalysts based on the activation strain model

A. Diefenbach , G.Th. De Jong , F.M. Bickelhaupt *
Molecular Physics 103 ( 6) 995 -998

27
2005
Sulfur–sulfur three-electron bond dissociation enthalpies of dialkyl sulfide dimer radical cations

Sam P. de Visser , F.Matthias Bickelhaupt , Leo J. de Koning , Nico M.M. Nibbering
International Journal of Mass Spectrometry 179-180 43 -54

12
1998
Anionic ether cleavage of tetrahydrofuran in the gas phase

F.Matthias Bickelhaupt , Leo J. de Koning , Nico M.M. Nibbering
Tetrahedron 49 ( 10) 2077 -2092

12
1993
Double Group Transfer Reactions: Role of Activation Strain and Aromaticity in Reaction Barriers

Israel Fernández , F. Matthias Bickelhaupt , Fernando P. Cossío
Chemistry: A European Journal 15 ( 47) 13022 -13032

61
2009
Book Review of" A Chemist's Guide to Valence Bond Theory" by Sason S. Shaik and Philippe C. Hiberty

Friedrich Matthias Bickelhaupt
Journal of Computational Chemistry 30 2784 -2784

1
2009
Rational design of iron catalysts for C–X bond activation

Xiaobo Sun , Thomas Hansen , Jordi Poater , Trevor A Hamlin
Journal of Computational Chemistry 44 ( 4) 495 -505

3
2023