Différences entre les versions de « ELF abstracts page »
| Ligne 2 : | Ligne 2 : | ||
| − | <font color=red> ''' | + | <font color=red> '''SPEAKERS :''' please add below, in your own section, your title talk and abstract : </font> |
| + | * click on your name in the ''' "Contents" ''' box below, this will lead you to your own section; | ||
| + | * your section starts with your name as the title line, click on '''[<font color=blue>edit</font>]''' (far right). | ||
| − | The order of abstract follow the program of the workshop. | + | |
| + | '''The order of abstract follow the program of the workshop.''' | ||
Version du 20 mai 2010 à 15:32
SPEAKERS : please add below, in your own section, your title talk and abstract :
- click on your name in the "Contents" box below, this will lead you to your own section;
- your section starts with your name as the title line, click on [edit] (far right).
The order of abstract follow the program of the workshop.
E. Alikhani
Address
Title of the talk
Abstract...
References
[1]
[2]
P. Hiberty
Address
Title of the talk
Abstract...
References
[1]
[2]
C. Lepetit
Address
Title of the talk
Abstract...
References
[1]
[2]
M-M. Rohmer
Address
Title of the talk
Abstract...
References
[1]
[2]
B. De Courcy
Address
Title of the talk
Abstract...
References
[1]
[2]
H. Jamet
Address
Title of the talk
Abstract...
References
[1]
[2]
G. A. Cisneros
Address
Title of the talk
Abstract...
References
[1]
[2]
X. Assfeld
Address
Title of the talk
Abstract...
References
[1]
[2]
H. S. Rzepa
Department of Chemistry, Imperial College London
ELF and the Nature of Triple bonds
A recent report of the species HOS≡CH by Schreiner, Mloston and co-workers1 speculated upon the nature of the SC bond; did it have triple significant bond character? Of the various techniques these authors used for the analysis, neither QTAIM nor ELF was employed. I initially filled this gap by a post on my blog2, and followed this by a full article submitted for publication more conventionally3. The results of this investigation will be presented at the workshop, including a rather surprising conclusion regarding the nature of triple bonds themselves in relation to the degree of charge-shift character they display4. The hypothesis so generated was then extended to investigating the nature of metal-metal multiple bonds, particularly Cr-Cr whose compounds are purported to exhibit homonuclear quadruple or quintuple bonds5. These systems also appear to sustain remarkably high charge-shift character and most intriguing ELF behaviour. The issue for discussion in the workshop is therefore whether or not ELF (combined with QTAIM) is indeed revealing something new about the nature of the triple and higher order homonuclear (metal) bond.
The talk will appear @www.ch.ic.ac.uk/rzepa/talks/elf10 and will feature rotatable ELF isosurfaces and models.
References
[1] P. R. Schreiner, H. P. Reisenauer, J. Romanski, and G. Mloston, Angew. Chemie. 2009, 48, 8133-8136. DOI: 10.1002/anie.200903969
[2] H. S. Rzepa, Blog and follow up
[3] H. S. Rzepa, submitted for publication, 2010.
[4] S. Shaik, D. Danovich, W. Wu and P. C. Hiberty, Nature Chem., 2009, 1, 443-449. DOI: 10.1038/nchem.327
[5] For initial speculations, see blog.
M. Yanez
Address
Title of the talk
Abstract...
References
[1]
[2]
P. J. MacDougall
Address
Title of the talk
Abstract...
References
[1]
[2]
J. Angyan
Address
Title of the talk
Abstract...
References
[1]
[2]
M. Causa
Address
Title of the talk
Abstract...
References
[1]
[2]
J. Contreras-Garcia
Address
Title of the talk
Abstract...
References
[1]
[2]
D. L. Cooper
Address
Title of the talk
Abstract...
References
[1]
[2]
A. Lüchow
Address
Title of the talk
Abstract...
References
[1]
[2]
E. P. Fowe
Address
Title of the talk
Abstract...
References
[1]
[2]
S. Grabowski
Address
Title of the talk
Abstract...
References
[1]
[2]
A. M. Pendas
Address
Title of the talk
Abstract...
References
[1]
[2]
E. Matito
Address
Title of the talk
Abstract...
References
[1]
[2]
D. Borgis
Address
Title of the talk
Abstract...
References
[1]
[2]
R. Vuillemier
Address
Title of the talk
Abstract...
References
[1]
[2]
J. Cioslowski
Address
Title of the talk
Abstract...
References
[1]
[2]
J. Pilmé
Address
Title of the talk
Abstract...
References
[1]
[2]
R. Nesper
Address
Title of the talk
Abstract...
References
[1]
[2]
Y. Grin
Address
Title of the talk
Abstract...
References
[1]
[2]
J-F. Halet
Address
Title of the talk
Abstract...
References
[1]
[2]
U. Wedig
Address
Title of the talk
Abstract...
References
[1]
[2]
R. Weihrich
Address
Title of the talk
Abstract...
References
[1]
[2]
P. Raybaud
Address
Title of the talk
Abstract...
References
[1]
[2]
E. Dumont
Address
Title of the talk
Abstract...
References
[1]
[2]
N. Chéron
Address
Title of the talk
Abstract...
References
[1]
[2]
S. Berski
Address
Title of the talk
Abstract...
References
[1]
[2]
L. Joubert
Address
Title of the talk
Abstract...
References
[1]
[2]
H. Bolvin
Address
Title of the talk
Abstract...
References
[1]
[2]
A. Delalande
Address
Title of the talk
Abstract...
References
[1]
[2]
R. Nalewajski
Address
Title of the talk
Abstract...
References
[1]
[2]
A. Scemama
Address
Title of the talk
Abstract...
References
[1]
[2]
J. Tao
Address
Title of the talk
Abstract...
References
[1]
[2]
I. Fourré
Address
Title of the talk
Abstract...
References
[1]
[2]
H. Gérard
Address
Title of the talk
Abstract...
References
[1]
[2]
N. Russo
Address
Title of the talk
Abstract...
References
[1]
[2]