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[http://www.internationales-buero.de/_media/Eulanest_Joint_Call_brochureA5_small.pdf Eulanest] is a collaborative project funded in the frame of the FP6 ERA-Net program.
+
[http://www.internationales-buero.de/_media/Eulanest_Joint_Call_brochureA5_small.pdf Eulanest] CERENH2 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
+
[http://www2.uca.es/dept/cmat_qinor/catalisis/cerenh2/index.htm CERENH2] stands for Cerium-based catalysts for the purification of hydrogen from renewable sources: a theoretical and experimental approach of structure-reactivity relationships
 
   
 
   
Abstract
+
== Context ==
  
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
+
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 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 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
+
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).
 
 
catalysts for multiple applications, and some of them have already successfully
 
  
worked together in similar systems (previous collaborations: Argentina-France, France-Spain, Argentina-Spain).
+
== Where & when? ==
  
 +
The meeting will be held in Paris, 28-29 June 2012, at the [http://www.baleine-blanche.com/ "péniche la baleine blanche"]
  
 +
Port de la Gare - 75013 Paris
  
 
== Program ==
 
== Program ==
 +
[[ Talks  ]]
 
{| border="5" |
 
{| border="5" |
!! <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>  
+
!  !! <font color="blue">Thursday 28 </font>!! <font color="blue">Friday 29 </font>  
|-  
+
 
! Location  !!  !! !!  !!  !!
+
|-
 +
! '''10:00-10:30'''
 +
| '''welcome'''                    ||'''M. Calatayud'''
 
|-
 
|-
! '''<font color="red">8:30-9:00</font>'''
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! '''10:30-11:00'''
| '''<font color="red"> Opening </font>'''
+
| ''' opening '''                     || '''C. Gervais''' 
||
 
||
 
||
 
||
 
 
|-
 
|-
! '''09:00-11:00'''
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! '''11:00-11h30'''
| ''VB lecture I'' - Philippe C. HIBERTY
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| ''' A.Bonivardi '''                    ||  '''D. Costa''' 
* [[Additional_information_on_the_content_of_the_VB_workshop|Qualitative Valence Bond theory]]
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|-
 +
! '''11:30-12:00'''
 +
| ''' S. Collins '''                    ||  '''M. Quiroga''' 
 +
|-
 +
! '''12:00-12:30'''
 +
| ''' V. Ganduglia-Pirovano '''                    ||  ''' closing''' 
 +
|-
 +
! '''12:30-14:00'''
  
''VB lecture II'' - Philippe C. HIBERTY
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| ''' <font color="red">LUNCH</font> '''                     ||  '''<font color="red">LUNCH</font>'''
* [[Additional_information_on_the_content_of_the_VB_workshop|Overview of ''ab initio'' Valence Bond methods]]
+
|-
 
+
! '''14:00-14:30'''
||''VB lecture V'' - David L. COOPER
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| ''' J.J. Delgado '''                    || ''scientific committee meeting''  
* [[Additional_information_on_the_content_of_the_VB_workshop|Spin-Coupled VB and CASVB methods and their applications]]
+
|-
 
+
! '''14:30-15:00'''
''VB lecture VI'' - Sason S. SHAIK
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| ''' M. A. Banares '''                    || ''scientific committee meeting''
* [[Additional_information_on_the_content_of_the_VB_workshop|Valence Bond diagrams for chemical reactivity - part 1]]
+
|-
 
+
! '''15:00-15:30'''
||
+
| ''' M. Causa '''                    || ''scientific committee meeting''  
''Extension lecture I'' - Markus REIHER
 
* [[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]]
 
''Extension lecture II'' - Jean-Paul MALRIEU
 
* [[Additional_information_on_the_content_of_the_VB_workshop|VB reading of CASSCF and post CASSCF wave functions. The work of dynamical correlation]]
 
||
 
''Short talks''
 
*
 
*
 
*
 
*
 
||
 
''Short talks''
 
*
 
*
 
*
 
*
 
 
|-
 
|-
! '''11:00-11:30'''
+
! '''15:30-16:00'''
| '''<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>'''
+
| ''' <font color="green">coffee break</font> '''                     ||  '''<font color="green">coffee break</font>'''   
 
|-
 
|-
! '''11:30-12:30'''
+
! '''16:00-16:30'''
| ''VB lecture III'' - Wei WU
+
| ''' M. Garcia-Casado '''                     || ''scientific committee meeting''  
* [[Additional_information_on_the_content_of_the_VB_workshop|Post-VBSCF methods including dynamical correlation]]
 
||
 
''VB lecture VII'' - Sason S. SHAIK
 
* [[Additional_information_on_the_content_of_the_VB_workshop|Valence Bond diagrams for chemical reactivity - part 2]]
 
||
 
''Extension lecture III'' - Clark LANDIS
 
* [[Additional_information_on_the_content_of_the_VB_workshop|VB reading from Natural Bond Orbital (NBO) analysis]]
 
||
 
''Short talks''
 
*
 
*
 
||
 
''Short talk''
 
*
 
*
 
 
|-
 
|-
! 12:30-14:30
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! '''16:30-17:00'''
| [[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>''']]
+
| ''' S. Dzwigaj '''                     || ''scientific committee meeting''
 +
 
 
|-
 
|-
! <font color="red">14:30</font>-15:30
+
*  
|''VB lecture IV'' - Peifeng SU
+
! '''20:00-xx'''
* [[Additional_information_on_the_content_of_the_VB_workshop|Practical guide for VB calculations]]
+
| '' dinner @ [http://www.boparis.com/ "La bouteille d'or"] ''                     ||  ''dinner''
||
 
''VB lecture VIII'' - Yirong MO
 
* [[Additional_information_on_the_content_of_the_VB_workshop|Block-localized wavefunction (BLW) method and its applications]]
 
||
 
''Extension lecture IV'' - F. Matthias BICKELHAUPT
 
* [[Additional_information_on_the_content_of_the_VB_workshop|MO Theory: Ally or Competitor of VB Theory?]]
 
||  <font color="gray">'''Free time </font>'''
 
||  <center> 14:00-17:00 '' [[Additional_information_on_the_content_of_the_VB_workshop|"hands-on" labs]]'' </center>
 
|-
 
!<font color="red">'''15:30</font>-18:30'''
 
|<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>
 
||<center> ''Free discussions'' <br> ''and'' <br> '' [[Additional_information_on_the_content_of_the_VB_workshop|"hands-on" labs]]'' </center>
 
||  <font color="gray">'''Free time </font>'''
 
|| <br> '''<center><font color="red">17:00 - Closing</font></center>'''
 
<br>
 
 
|-
 
|-
! <font color="red">19:30</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>''']]|| [[Practical information for the VB workshop#Dinners|'''<font color="green">Restaurant suggestions</font>''']]||
 
 
|}
 
|}

Dernière version du 27 juin 2012 à 21:39

Eulanest CERENH2 is a collaborative project funded in the frame of the FP6 ERA-Net program.

CERENH2 stands for Cerium-based catalysts for the purification of hydrogen from renewable sources: a theoretical and experimental approach of structure-reactivity relationships

Context

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).

Where & when?

The meeting will be held in Paris, 28-29 June 2012, at the "péniche la baleine blanche"

Port de la Gare - 75013 Paris

Program

Talks

Thursday 28 Friday 29
10:00-10:30 welcome M. Calatayud
10:30-11:00 opening C. Gervais
11:00-11h30 A.Bonivardi D. Costa
11:30-12:00 S. Collins M. Quiroga
12:00-12:30 V. Ganduglia-Pirovano closing
12:30-14:00 LUNCH LUNCH
14:00-14:30 J.J. Delgado scientific committee meeting
14:30-15:00 M. A. Banares scientific committee meeting
15:00-15:30 M. Causa scientific committee meeting
15:30-16:00 coffee break coffee break
16:00-16:30 M. Garcia-Casado scientific committee meeting
16:30-17:00 S. Dzwigaj scientific committee meeting
20:00-xx dinner @ "La bouteille d'or" dinner