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| (22 versions intermédiaires par 9 utilisateurs non affichées) | |||
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| + | [[Twenty_Years_ELF|<<< ELF workshop main page]] | ||
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[[Image:Si2H2-elf088.jpg|center|200px]] | [[Image:Si2H2-elf088.jpg|center|200px]] | ||
* Esmail Alikhani | * Esmail Alikhani | ||
| Ligne 5 : | Ligne 9 : | ||
* Hélène Bolvin, tba, 20 mn. | * Hélène Bolvin, tba, 20 mn. | ||
* Daniel Borgis, tba, 20 mn. | * Daniel Borgis, tba, 20 mn. | ||
| + | * Slawomir Berski, ''Topological Analysis of ELF - recent findings'', 20 min | ||
| + | * Mauro Causa' ''Elf and probability functions to analyse chemical bonds in molecules, nano-systems, surfaces, crystals'', 20 min | ||
| + | * Nicolas Chéron, ''Mechanism of the Ugi-Smiles reaction'', 20 min | ||
* Jerzy Cioslowski, final decision pending, 20 min | * Jerzy Cioslowski, final decision pending, 20 min | ||
* G. Andrés Cisneros, 20mn, TBA | * G. Andrés Cisneros, 20mn, TBA | ||
| − | * Julia Contreras-García, 20 min. | + | * Julia Contreras-García, ''Revealing non covalent interactions'', 20 min. |
* Benoît de Courcy, ''Hard and soft cations within large biological systems: an ELF study'', 20 min. | * Benoît de Courcy, ''Hard and soft cations within large biological systems: an ELF study'', 20 min. | ||
* David L. Cooper, TBA, 20 min | * David L. Cooper, TBA, 20 min | ||
| − | * | + | * Emmanuel Penka Fowe, TBA, 20 min |
| − | |||
* Hélène Gérard, TBA, 20 min | * Hélène Gérard, TBA, 20 min | ||
| − | * Slawomir Grabowski, 20 min | + | * Slawomir Grabowski, ¨Categories of hydrogen bonding: ELF, QTAIM and other approaches¨, 20 min |
| − | * Yuri Grin, | + | * Yuri Grin, ''My ELF days in Stuttgart'' |
| − | * Jean-François Halet, | + | * Jean-François Halet, ''ELF at Rennes. What do we do with it in solid-state chemistry?'' 20 min. |
| − | * Philippe Hiberty | + | * Philippe Hiberty, ''New Concepts in Chemical Bonding. Charge-Shift Bonding and its Manifestations in Chemistry'' |
| − | + | * Laurent Joubert, "Making density functional theory and quantum theory of atoms in molecules converse: a local approach", 20 min. | |
| − | + | * Hélène Jamet, "ELF and MESP : two efficient methods to validate a QM/MM partition for the modelization of Phosphine ligands", 20 min. | |
| − | * Hélène Jamet, | ||
* Aurélien de la Lande | * Aurélien de la Lande | ||
* Christine Lepetit, TBA, 20mn | * Christine Lepetit, TBA, 20mn | ||
| − | * Arne Luechow, | + | * Arne Luechow, ''Single electron densities based on correlated wavefunctions and ELF'', 20 min. |
* [http://ematito.webs.com Eduard Matito], ''The ELF at correlated level. A natural orbital approach'', 20 min. | * [http://ematito.webs.com Eduard Matito], ''The ELF at correlated level. A natural orbital approach'', 20 min. | ||
| − | |||
* Preston MacDougall, ''Probing electron correlation in momentum space'', 20 min. | * Preston MacDougall, ''Probing electron correlation in momentum space'', 20 min. | ||
* Roman Nalewajski, ''Localization of chemical bonds using the ELF-like information probes'', 20 min | * Roman Nalewajski, ''Localization of chemical bonds using the ELF-like information probes'', 20 min | ||
| − | * Reinhard Nesper, | + | * Reinhard Nesper, ''Delicate Bonding & Band Magnetism Main Group Intermetallics'' |
* Frank De Proft, TBA, 20 min. | * Frank De Proft, TBA, 20 min. | ||
* A. Martín Pendás, 20 min. | * A. Martín Pendás, 20 min. | ||
* Julien Pilmé, TBA, 20 min | * Julien Pilmé, TBA, 20 min | ||
| − | * Pascal Raybaud, | + | * Pascal Raybaud, ''From electronic to catalytic properties of transition metal sulfides surfaces'', 20 min. |
| − | |||
* Nino Russo, 20 min. | * Nino Russo, 20 min. | ||
* Henry Rzepa, ''ELF, unusual aromaticities, bonds (and blogs)'', 20 min. | * Henry Rzepa, ''ELF, unusual aromaticities, bonds (and blogs)'', 20 min. | ||
* [http://sourceforge.net/userapps/mediawiki/scemama Anthony Scemama], ''Localizing electron pairs with the Electron Pair Localization Function (EPLF)'', 20 min. | * [http://sourceforge.net/userapps/mediawiki/scemama Anthony Scemama], ''Localizing electron pairs with the Electron Pair Localization Function (EPLF)'', 20 min. | ||
| − | * Jianmin Tao, | + | * Jianmin Tao, ''Stress tensor and ELF'', 20 min. |
* Rodolphe Vuilleumier, TBA, 20 min. | * Rodolphe Vuilleumier, TBA, 20 min. | ||
* Ulrich Wedig, ''ELF in electron deficient clusters'', 20 min. | * Ulrich Wedig, ''ELF in electron deficient clusters'', 20 min. | ||
| + | * Richard Weihrich, TBA, 10 min. | ||
* Manuel Yanez, ''ELF as a useful tool to understand chemical bonding in challenging cases'' | * Manuel Yanez, ''ELF as a useful tool to understand chemical bonding in challenging cases'' | ||
| − | + | ||
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| + | [[Twenty_Years_ELF|<<< ELF workshop main page]] | ||
Dernière version du 6 juin 2010 à 20:20
- Esmail Alikhani
- János Ángyán, TBA, 20 min.
- Xavier Assfeld, ELF analysis of core-ionized and core-excited states, 20 min.
- Hélène Bolvin, tba, 20 mn.
- Daniel Borgis, tba, 20 mn.
- Slawomir Berski, Topological Analysis of ELF - recent findings, 20 min
- Mauro Causa' Elf and probability functions to analyse chemical bonds in molecules, nano-systems, surfaces, crystals, 20 min
- Nicolas Chéron, Mechanism of the Ugi-Smiles reaction, 20 min
- Jerzy Cioslowski, final decision pending, 20 min
- G. Andrés Cisneros, 20mn, TBA
- Julia Contreras-García, Revealing non covalent interactions, 20 min.
- Benoît de Courcy, Hard and soft cations within large biological systems: an ELF study, 20 min.
- David L. Cooper, TBA, 20 min
- Emmanuel Penka Fowe, TBA, 20 min
- Hélène Gérard, TBA, 20 min
- Slawomir Grabowski, ¨Categories of hydrogen bonding: ELF, QTAIM and other approaches¨, 20 min
- Yuri Grin, My ELF days in Stuttgart
- Jean-François Halet, ELF at Rennes. What do we do with it in solid-state chemistry? 20 min.
- Philippe Hiberty, New Concepts in Chemical Bonding. Charge-Shift Bonding and its Manifestations in Chemistry
- Laurent Joubert, "Making density functional theory and quantum theory of atoms in molecules converse: a local approach", 20 min.
- Hélène Jamet, "ELF and MESP : two efficient methods to validate a QM/MM partition for the modelization of Phosphine ligands", 20 min.
- Aurélien de la Lande
- Christine Lepetit, TBA, 20mn
- Arne Luechow, Single electron densities based on correlated wavefunctions and ELF, 20 min.
- Eduard Matito, The ELF at correlated level. A natural orbital approach, 20 min.
- Preston MacDougall, Probing electron correlation in momentum space, 20 min.
- Roman Nalewajski, Localization of chemical bonds using the ELF-like information probes, 20 min
- Reinhard Nesper, Delicate Bonding & Band Magnetism Main Group Intermetallics
- Frank De Proft, TBA, 20 min.
- A. Martín Pendás, 20 min.
- Julien Pilmé, TBA, 20 min
- Pascal Raybaud, From electronic to catalytic properties of transition metal sulfides surfaces, 20 min.
- Nino Russo, 20 min.
- Henry Rzepa, ELF, unusual aromaticities, bonds (and blogs), 20 min.
- Anthony Scemama, Localizing electron pairs with the Electron Pair Localization Function (EPLF), 20 min.
- Jianmin Tao, Stress tensor and ELF, 20 min.
- Rodolphe Vuilleumier, TBA, 20 min.
- Ulrich Wedig, ELF in electron deficient clusters, 20 min.
- Richard Weihrich, TBA, 10 min.
- Manuel Yanez, ELF as a useful tool to understand chemical bonding in challenging cases