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worked together in similar systems (previous collaborations: Argentina-France, France-Spain, Argentina-Spain).
 
worked together in similar systems (previous collaborations: Argentina-France, France-Spain, Argentina-Spain).
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== Program ==
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{| border="5" |
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!  !! <font color="blue">Monday </font>!! <font color="blue">Tuesday </font> !! <font color="blue">Wednesday </font> !! <font color="blue">Thursday </font> !! <font color="blue">Friday </font>
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|-
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! Location  !!  !! !!  !!  !!
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|-
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! '''<font color="red">8:30-9:00</font>'''
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| '''<font color="red"> Opening </font>''' 
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||
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||
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||
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||
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|-
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! '''09:00-11:00'''
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| ''VB lecture I'' - Philippe C. HIBERTY
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* [[Additional_information_on_the_content_of_the_VB_workshop|Qualitative Valence Bond theory]]
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''VB lecture II'' - Philippe C. HIBERTY
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* [[Additional_information_on_the_content_of_the_VB_workshop|Overview of ''ab initio'' Valence Bond methods]]
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||''VB lecture V'' - David L. COOPER
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* [[Additional_information_on_the_content_of_the_VB_workshop|Spin-Coupled VB and CASVB methods and their applications]]
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''VB lecture VI'' - Sason S. SHAIK
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* [[Additional_information_on_the_content_of_the_VB_workshop|Valence Bond diagrams for chemical reactivity - part 1]]
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||
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''Extension lecture I'' - Markus REIHER
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* [[Additional_information_on_the_content_of_the_VB_workshop|Modern Multi-Determinantal Total-State Wave Functions and their Relation to One-Electron Pictures like Valence Bond Theory]]
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''Extension lecture II'' - Jean-Paul MALRIEU
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* [[Additional_information_on_the_content_of_the_VB_workshop|VB reading of CASSCF and post CASSCF wave functions. The work of dynamical correlation]]
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||
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''Short talks''
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*
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*
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*
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*
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||
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''Short talks''
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*
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*
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*
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*
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|-
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! '''11:00-11:30'''
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| '''<font color="green">BREAK</font>''' ||  '''<font color="green">BREAK</font>'''  ||  '''<font color="green">BREAK</font>''' || '''<font color="green">BREAK</font>''' || '''<font color="green">BREAK</font>'''
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|-
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! '''11:30-12:30'''
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|  ''VB lecture III'' - Wei WU
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* [[Additional_information_on_the_content_of_the_VB_workshop|Post-VBSCF methods including dynamical correlation]]
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||
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''VB lecture VII'' - Sason S. SHAIK
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* [[Additional_information_on_the_content_of_the_VB_workshop|Valence Bond diagrams for chemical reactivity - part 2]]
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||
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''Extension lecture III'' - Clark LANDIS
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* [[Additional_information_on_the_content_of_the_VB_workshop|VB reading from Natural Bond Orbital (NBO) analysis]]
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||
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''Short talks''
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*
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*
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||
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''Short talk''
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*
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*
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|-
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! 12:30-14:30
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| [[Practical information for the VB workshop#Lunches|'''<font color="green">Lunch</font>''']] || [[Practical information for the VB workshop#Lunches|'''<font color="green">Lunch</font>''']] || [[Practical information for the VB workshop#Lunches|'''<font color="green">Lunch</font>''']] || [[Practical information for the VB workshop#Lunches|'''<font color="green">Lunch</font>''']] || [[Practical information for the VB workshop#Lunches|'''<font color="green">12:30-14:00 Lunch</font>''']]
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|-
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! <font color="red">14:30</font>-15:30
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|''VB lecture IV'' - Peifeng SU
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* [[Additional_information_on_the_content_of_the_VB_workshop|Practical guide for VB calculations]]
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||
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''VB lecture VIII'' - Yirong MO
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* [[Additional_information_on_the_content_of_the_VB_workshop|Block-localized wavefunction (BLW) method and its applications]]
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||
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''Extension lecture IV'' - F. Matthias BICKELHAUPT
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* [[Additional_information_on_the_content_of_the_VB_workshop|MO Theory: Ally or Competitor of VB Theory?]]
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||  <font color="gray">'''Free time </font>'''
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||  <center> 14:00-17:00 '' [[Additional_information_on_the_content_of_the_VB_workshop|"hands-on" labs]]'' </center>
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|-
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!<font color="red">'''15:30</font>-18:30'''
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|<center> ''Free discussions'' <br> ''and'' <br> '' [[Additional_information_on_the_content_of_the_VB_workshop|"hands-on" labs]]'' </center>
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||<center> ''Free discussions'' <br> ''and'' <br> '' [[Additional_information_on_the_content_of_the_VB_workshop|"hands-on" labs]]'' </center>
 +
||<center> ''Free discussions'' <br> ''and'' <br> '' [[Additional_information_on_the_content_of_the_VB_workshop|"hands-on" labs]]'' </center>
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||  <font color="gray">'''Free time </font>'''
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|| <br> '''<center><font color="red">17:00 - Closing</font></center>'''
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<br>
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|-
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! <font color="red">19:30</font>
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| [[Practical information for the VB workshop#Dinners|'''<font color="green">Restaurant suggestions</font>''']]|| [[Practical information for the VB workshop#Dinners|'''<font color="green">Restaurant suggestions</font>''']]|| [[Practical information for the VB workshop#Dinners|'''<font color="green">Restaurant suggestions</font>''']]|| [[Practical information for the VB workshop#Dinners|'''<font color="green">Restaurant suggestions</font>''']]||
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|}

Version du 29 mai 2012 à 11:41

Eulanest is a collaborative project funded in the frame of the FP6 ERA-Net program.

CERIUM-BASED CATALYSTS FOR THE PURIFICATION OF HYDROGEN FROM RENEWABLE SOURCES: A THEORETICAL AND EXPERIMENTAL APPROACH OF THE STRUCTURE-REACTIVITY RELATIONSHIPS

Abstract

Enhancing long term relationships of European and Latin American researchers for the development of non-conventional more efficient catalytic material for the purification of molecular hydrogen from renewable sources


The concerns about global warming have increased the interest in energy sources that can reduce the net carbon dioxide emissions, such as the use of hydrogen (H2) as energy vector in fuel cell operated devices.

The main objective of the project is to contribute to a deep understanding of non-conventional and more efficient catalytic materials in the purification of molecular hydrogen, produced by renewable organic sources, by combining experimental results with theoretical calculations.

The achievement of the project relies on the unique and complementary multidisciplinary expertise of the European and Latin American teams involved. All the groups possess world-known expertise on oxide based

catalysts for multiple applications, and some of them have already successfully

worked together in similar systems (previous collaborations: Argentina-France, France-Spain, Argentina-Spain).


Program

Monday Tuesday Wednesday Thursday Friday
Location
8:30-9:00 Opening
09:00-11:00 VB lecture I - Philippe C. HIBERTY

VB lecture II - Philippe C. HIBERTY

VB lecture V - David L. COOPER

VB lecture VI - Sason S. SHAIK

Extension lecture I - Markus REIHER

Extension lecture II - Jean-Paul MALRIEU

Short talks

Short talks

11:00-11:30 BREAK BREAK BREAK BREAK BREAK
11:30-12:30 VB lecture III - Wei WU

VB lecture VII - Sason S. SHAIK

Extension lecture III - Clark LANDIS

Short talks

Short talk

12:30-14:30 Lunch Lunch Lunch Lunch 12:30-14:00 Lunch
14:30-15:30 VB lecture IV - Peifeng SU

VB lecture VIII - Yirong MO

Extension lecture IV - F. Matthias BICKELHAUPT

Free time
14:00-17:00 "hands-on" labs
15:30-18:30
Free discussions
and
"hands-on" labs
Free discussions
and
"hands-on" labs
Free discussions
and
"hands-on" labs
Free time
17:00 - Closing


19:30 Restaurant suggestions Restaurant suggestions Restaurant suggestions Restaurant suggestions
Récupérée de « https://wiki.lct.jussieu.fr/workshop/index.php?title=Eulanest_CERENH2_Final_Meeting&oldid=3648 »