B3LYP vs B3P86

Many thanks to all who replied to my e-mail last week, some people asked me
 to summarise the
 responses and here they are (order of appearance is totally arbitrary):
 1.) Mark Saeys
 I know of two articles that compare different functionals for transition
 metal dimers, but I am not sure if they compare hybrid functionals-I know
 they conclude that pure functionals are more reliable than hybrid, because
 the HF part deteriorates the results.
 Homonuclear 3d transition-metal diatomics: A systematic density functional
 theory study, Barden, C.J., J.C. Rienstra-Kiracofe, H.F. Schaefer III, J.
 Chem. Phys.113(2), 690-700 (2000)
 An investigation of density functionals: The first-row transition metal
 dimer calculations, Yanagisawa S., T. Tsuneda, K. Hirao, J. Chem. Phys.
 112: (2) 545-553 (2000)
 2.) Marcel Swart
 there is a paper by Ulf Ryde (I think this year), in which he
 compares Becke-Perdew and B3LYP
 to MP2 geometries for model systems of the active site of type-1
 copper proteins.
 I can't remember exactly in which journal etc., but I could look it up for you.
 I needed to look it up myself, so here is the ref:
 U. Ryde et al., Theor.Chem.Acc. (2001) 105:452-462
 3.) RNDr. Jan Hrusak CSc.
 You may have a look to the papers published by us few years ago. I do not
 have them handy now, but if you look for some of the authors - i.e, Hrusak,
 Koch, Holthausen you will find most of them.
 4.) Luis Antonio
 There are two papers that you might be interested:
     Chem. Phys. Letters 268 (1997) 345.
      J. Mol. Struct. (THEOCHEM) 430 (1998) 9.
     There you can find comparisons of B3LYP with other functionals.
 5.) Per-Ola Norrby
 A good source would be "Computational Organometallic
 Chemistry", edited by Tom Cundari, avaliable from Marcel-Dekker.
 Specifically, chapter 4 by Diedenhofen, Wagener, and Frenking, does
 exactly the comparison you're asking for.
 	You can find the book at this link:
 http://www.dekker.com/servlet/product/productid/0478-9
 =====
 Meike Reinhold
 Chemistry Department
 University of York
 UK
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