Différences entre les versions de « Program final NCI workshop »

@@ Ligne 1 : / Ligne 1 : @@
 [[Topological_Approaches_to_Intermolecular_Interactions|<<< Topological Approaches to Intermolecular Interactions workshop main page]]
+<center>
+[[File:Image3.png]]
+</center>
-{| border="5" width=65% |
-!
-||<font color="blue">'''Tuesday 25th''' </font>
-||<font color="blue">'''Wednesday 26th''' </font>
-||<font color="blue">'''Thursday 27th''' </font>
-||<font color="blue">'''Friday 28th''' </font>
-|-
-! '''<font color="red">8:30-9:00</font>'''
-||
-|| '''<font color="red">Opening</font>'''
-||'''<font color="red">Coffee</font>'''
-||'''<font color="red">Coffee</font>'''
-|-
-! '''09:00-10:00'''||
-||
-''' [[Abstract_pool_for_the_NCI_workshop#Paul Popelier|Paul Popelier]]'''
-||
-'''[[Abstract_pool_for_the_NCI_workshop#Frank De Proft|Frank De Proft]]'''
-||
-'''[[Abstract_pool_for_the_NCI_workshop#Weitao Yang|Weitao Yang]]'''
-|-
-! '''10:00-10:30'''||
-| '''<font color="green">BREAK</font>''' || '''<font color="green">BREAK</font>''' || '''<font color="green">BREAK</font>'''
-|-
-! '''10:30-11:00'''||Training
-|
-[[Abstract_pool_for_the_NCI_workshop#Alberto Otero-de-la-Roza and Erin Johnson|Alberto Otero-de-la-Roza]]
-||
-[[Abstract_pool_for_the_NCI_workshop#Marc_Garcia-Borr.C3.A0s.2Ca_S.C3.ADlvia_Osuna.2Ca_Marcel_Swart.2Ca.2Cb_Josep_M._Luis.2Ca_and_Miquel_Sol.C3.A0a|Marc Garcia-Borras]]
-||
-[[Abstract_pool_for_the_NCI_workshop#Robin_Chaudret.2C_Natacha_Gillet.2C_Pan_Wu.2C_Julia_Contreras-Garcia.2C_Jean-Philip_Piquemal.2C_Weitao_Yang|Robin Chaudret]]
-|-
-! '''11:00-11:30'''||Training
-|
-[[Abstract_pool_for_the_NCI_workshop#Gabriele_Saleh.2C_Carlo_Gatti.2C_Leonardo_Lo_Presti|Gabriele Saleh]]
-||
-[[Abstract_pool_for_the_NCI_workshop#Mercedes Alonso, Paul Geerlings and Frank De Proft|Mercedes Alonso]]
-||
-[[Abstract_pool_for_the_NCI_workshop#Ver.C3.B2nica_Postils.2C_Eduard_Matito.2C_Marc_Garcia-Borr.C3.A0s.2C_Miquel_Sol.C3.A0_and_Josep_M._Luis|Veronica Postils]]
-|-
-! '''11:30-12:00'''||Training
-|
-[[Abstract_pool_for_the_NCI_workshop#Eduard_Matito.2C__Ferran_Feixas.2C_Juan_M._Barroso.2C_Miquel_Sol.C3.A0_and_Jesus_M._Ugalde|Eduard Matito]]
-||
-[[Abstract_pool_for_the_NCI_workshop#Monica Calatayud|Monica Calatayud]]
-||
-[[Abstract_pool_for_the_NCI_workshop#Piotr_de_Silvaa.2Cb.2C_Jacek_Korchowieca.2C_Tomasz_A._Wesolowskib|Piotr de Silva]]
-|-
-! '''12:00-14:00'''||
-|
-'''<font color="green">LUNCH</font>'''
-||
-'''<font color="green">LUNCH</font>'''
-||
-'''<font color="green">LUNCH</font>'''
-|-
-! '''14:00-15:00''' ||Training
-||
-'''[[Abstract_pool_for_the_NCI_workshop#A. Martín Pendás|Angel Martin Pendas]]'''
-||
-'''[[Abstract_pool_for_the_NCI_workshop#Manuel_Y.C3.A1.C3.B1ez|Manuel Yanez]]'''
-||
-'''[[Abstract_pool_for_the_NCI_workshop#Slawomir J. Grabowski|Slawomir J. Grabowski]]'''
-|-
-! '''15:00-15:30'''||
-| '''<font color="green">BREAK</font>''' || '''<font color="green">VISITS</font>''' || '''<font color="green">BREAK</font>'''
-|-
-! '''15:30-16:00'''|| Training
-|
-[[Abstract_pool_for_the_NCI_workshop#Sílvia Simon, Laia Guillaumes|Sílvia Simon]]
-||
-'''<font color="green">VISITS</font>'''
-||
-[[Abstract_pool_for_the_NCI_workshop#Vincent Tognetti and Laurent Joubert|Vincent Tognetti]]
-|-
-! '''16:00-16:30'''|| Training
-|
-[[Abstract_pool_for_the_NCI_workshop#Ferran Feixas, Steffan Lindert, Meekyum Kim, William Sinko, J. Andrew McCammon|Ferran Feixas]]
-||
-'''<font color="green">VISITS</font>'''
-||
-[[Abstract_pool_for_the_NCI_workshop#Christine_Lepetit.2CaJordi_Poater.2Cb_Miquel_Sol.C3.A0.2CbJulia_Contreras-Garcia.2CcYves_Canac.2CaDavit_Zargarian.2Cd_Remi_Chauvin_a|Christine Lepetit]]
-|-
-! '''16:30-17:00'''|| Training
-|
-[[Abstract_pool_for_the_NCI_workshop#Piotr_Kasprzycki.2C_Piotr_Ci.C4.85.C4.87ka.2C_Piotr_Fita.2C_Czes.C5.82aw_Radzewicz|Piotr Kasprzycki]]
-||
-<font color="orange">'''[[Abstract_pool_for_the_NCI_workshop#Poster_session|Poster Session]]'''
-||
-[[Abstract_pool_for_the_NCI_workshop#Kasper_Mackeprang|Kasper Mackeprang]]
-|-
-! '''17:00-17:30'''||Training
-|  <font color="green">'''BREAK'''</font>
-||
-<font color="orange">'''[[Abstract_pool_for_the_NCI_workshop#Poster_session|Poster Session]]'''
-||<font color="orange">'''Discussion'''</font>
-|-
-! '''17:30-18:00'''||Training
-|
-'''[[Abstract_pool_for_the_NCI_workshop#Odile Eisenstein|Odile Eisenstein]]'''
-||
-<font color="orange">'''[[Abstract_pool_for_the_NCI_workshop#Poster_session|Poster Session]]'''
-||<font color="red">'''Closing'''</font>
-|-
-! '''18:00-18:30'''||Training
-|
-[[Abstract_pool_for_the_NCI_workshop#Hélène GERARD|Hélène Gerard]]
-||
-<font color="orange">'''[[Abstract_pool_for_the_NCI_workshop#Poster_session|Poster Session]]'''
-||
-|-
-! '''18:30-19:00'''||Training
-|
-[[Abstract_pool_for_the_NCI_workshop#Arturo Espinosa|Arturo Espinosa]]
-||
-||
-|-
-! '''19:00-20:00'''
-|
-||
-<font color="orange">'''Discussion'''</font>
-||
-||
-|-
-! '''20:00'''
-|
-||
-||
- <font color="red">'''Dinner'''</font>
-||
-|-
-|}
@@ Ligne 187 : / Ligne 12 : @@
 '''<big><big><big>Detailed Program</big></big></big>'''
-{{File-DL|NCIprogram|pdf}}
-{{File-DL|NCIprogram.pdf|pdf}}
-[[Media:NCIprogram.pdf]]
+[[File:pdf.png]]  [[Media:NCIprogram.pdf|Download Program]]
-[[File:NCIprogram.pdf]]
@@ Ligne 199 : / Ligne 21 : @@
-''Chairperson:''
+<font color="red">''Chairperson: Jean Philip Piquemal''</font>
-'''9:30-10:30 Frank de Proft'''
+'''9:30-10:30 Frank de Proft'''  [[File:pdf.png]][[Media:F._De_Proft.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Frank De Proft|Combined use of DFT based Reactivity Indices and the Non-covalent Index in the Study of Intermolecular Interactions]]''
@@ Ligne 209 : / Ligne 31 : @@
-:00-11:30 Alberto Otero-de-la-Roza
+:00-11:30 Piotr de Silva  [[File:pdf.png]][[Media:deSilva.pdf|Slides]]‎
-''[[Abstract_pool_for_the_NCI_workshop#Alberto Otero-de-la-Roza and Erin Johnson|Exchange and correlation effects on non-covalent interactions]]''
+''[[Abstract_pool_for_the_NCI_workshop#Piotr_de_Silvaa.2Cb.2C_Jacek_Korchowieca.2C_Tomasz_A._Wesolowskib|Probing Aromaticity and Non-Covalent Interactions with Single Exponential Decay Detector (SEDD)]]''
-:30-12:00 Gabriele Saleh
+:30-12:00 Gabriele Saleh  [[File:pdf.png]][[Media:GSaleh.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Gabriele_Saleh.2C_Carlo_Gatti.2C_Leonardo_Lo_Presti|Exploring non-covalent interactions in molecular crystals through the analysis of their experimental electron density distribution]]''
-:00-12:30 Eduard Matito
+:00-12:30 Eduard Matito  [[File:pdf.png]][[Media:matito.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Eduard_Matito.2C__Ferran_Feixas.2C_Juan_M._Barroso.2C_Miquel_Sol.C3.A0_and_Jesus_M._Ugalde|Multicenter Bond Index: a versatile tool to characterize electron delocalization and aromaticity]]''
@@ Ligne 227 : / Ligne 49 : @@
-''Chairperson:''
+<font color="red">''Chairperson: Eduard Matito''</font>
-'''14:30-15:30 Ángel Martín Pendás'''
+'''14:30-15:30 Ángel Martín Pendás'''  [[File:pdf.png]][[Media:AMPendas.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#A. Martín Pendás|Decay rate of delocalization indices: towards a real space image of the insulating or metallic character of a material]]''
@@ Ligne 237 : / Ligne 59 : @@
-:00-16:30 Sílvia Simon
+:00-16:30 Sílvia Simon  [[File:pdf.png]][[Media:SSimon.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Sílvia Simon, Laia Guillaumes|Delocalization Indices for Non-Covalent Interaction]]''
@@ Ligne 247 : / Ligne 69 : @@
-:00-17:30 Piotr Kasprzycki
+:00-17:30 Piotr Kasprzycki  [[File:pdf.png]][[Media:Kasprzycki.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Piotr_Kasprzycki.2C_Piotr_Ci.C4.85.C4.87ka.2C_Piotr_Fita.2C_Czes.C5.82aw_Radzewicz|The correlation between the proton transfer time and electron density in the inner cavity of porphycenes]]''
-:30-18:00 <font color="orange">DISCUSSION</font>
+:30-18:00 Kati Finzel  [[File:pdf.png]][[Media:Kati-Finzel.pdf|Slides]]‎
+''[[Abstract_pool_for_the_NCI_workshop#Kati_Finzel|Indicators based on electron density inhomogeneity]] ''
+:00-18:30 Dylan Jayatilaka
+''[[Abstract_pool_for_the_NCI_workshop#Dylan_Jayatilaka|Some thoughts about efficient implementation of accurate intermolecular interaction energies]]''
+:30-19:00 <font color="orange">DISCUSSION</font> ''[[Media:Questions_Savin.pdf|Questions discussed (PDF)]]''
+<font color="orange">''Discussion leader: Andreas Savin</font>
+:00-20:30 <font color="orange">POSTER SESSION</font>
-:00-20:00 <font color="orange">POSTER SESSION</font>
@@ Ligne 261 : / Ligne 99 : @@
-''Chairperson:''
+<font color="red">''Chairperson: Peter Reinhardt''</font>
-'''9:30-10:30 Manuel Yáñez'''
+'''9:30-10:30 Manuel Yáñez'''  [[File:pdf.png]][[Media:Yanez_talk.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Manuel_Y.C3.A1.C3.B1ez|Playing around with Beryllium Bonds]]''
@@ Ligne 276 : / Ligne 114 : @@
-:30-12:00 Mercedes Alonso
+:30-12:00 Mercedes Alonso   [[File:pdf.png]][[Media:MAlonso.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Mercedes Alonso, Paul Geerlings and Frank De Proft|Fine-tuning of the conformation of expanded porphyrins using conceptual DFT descriptors and non-covalent index]]''
-:00-12:30 Mónica Calatayud
+:00-12:30 Mónica Calatayud [[File:pdf.png]][[Media:MCalatayud.pdf|Slides]]‎
-''[[Abstract_pool_for_the_NCI_workshop#Monica Calatayud|TBC]]''
+''[[Abstract_pool_for_the_NCI_workshop#Monica Calatayud|Reactivity indices and bonding in V2O5 based materials]]''
@@ Ligne 292 : / Ligne 130 : @@
-''Chairperson:''
+<font color="red">''Chairperson: Odile Eisenstein''</font>
 '''16:00-17:00 Paul Popelier'''
-'' [[Abstract_pool_for_the_NCI_workshop#Paul Popelier|Quantum Chemical Topology: on Bonds and Force Fields]]''
+''[[Abstract_pool_for_the_NCI_workshop#Paul Popelier|Quantum Chemical Topology: on Bonds and Force Fields]]''
@@ Ligne 304 : / Ligne 142 : @@
-:30-18:00 Robin Chaudret
+:30-18:00 Robin Chaudret [[File:pdf.png]][[Media:RChaudret.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Robin_Chaudret.2C_Natacha_Gillet.2C_Pan_Wu.2C_Julia_Contreras-Garcia.2C_Jean-Philip_Piquemal.2C_Weitao_Yang|Non covalent interaction within reactive and dynamic systems : a presentation of ELF/NCI and aNCI ]]''
@@ Ligne 321 : / Ligne 159 : @@
-''Chairperson:''
+<font color="red">''Chairperson: Robin Chaudret''</font>
 '''9:30-10:30 Weitao Yang'''
-''[[Abstract_pool_for_the_NCI_workshop#Weitao Yang|TBA]]''
+''[[Abstract_pool_for_the_NCI_workshop#Weitao Yang|Non-Covalent Interaction Analysis in Fluctuating Environments and Exchange-Correlation Energies from Response Properties]]''
@@ Ligne 333 : / Ligne 171 : @@
 :00-11:30 Vincent Tognetti
-[[Abstract_pool_for_the_NCI_workshop#Vincent Tognetti and Laurent Joubert|QTAIM/DFT descriptors for the description of “weak” interactions]]
+''[[Abstract_pool_for_the_NCI_workshop#Vincent Tognetti and Laurent Joubert|QTAIM/DFT descriptors for the description of “weak” interactions]]''
 :30-12:00 Verònica Postils
-[[Abstract_pool_for_the_NCI_workshop#Ver.C3.B2nica_Postils.2C_Eduard_Matito.2C_Marc_Garcia-Borr.C3.A0s.2C_Miquel_Sol.C3.A0_and_Josep_M._Luis|Characterization and Identification of Electrides]]
+''[[Abstract_pool_for_the_NCI_workshop#Ver.C3.B2nica_Postils.2C_Eduard_Matito.2C_Marc_Garcia-Borr.C3.A0s.2C_Miquel_Sol.C3.A0_and_Josep_M._Luis|Characterization and Identification of Electrides]]''
-:00-12:30 Piotr de Silva
+:00-12:30 Alberto Otero-de-la-Roza  [[File:pdf.png]][[Media:Otero-de-la-Roza.pdf|Slides]]‎
-[[Abstract_pool_for_the_NCI_workshop#Piotr_de_Silvaa.2Cb.2C_Jacek_Korchowieca.2C_Tomasz_A._Wesolowskib|Probing Aromaticity and Non-Covalent Interactions with Single Exponential Decay Detector (SEDD)]]
+''[[Abstract_pool_for_the_NCI_workshop#Alberto Otero-de-la-Roza and Erin Johnson|Exchange and correlation effects on non-covalent interactions]]''
@@ Ligne 349 : / Ligne 187 : @@
-''Chairperson:''
+<font color="red">''Chairperson: Henry Chermette''</font>
 '''14:30-15:30 Slawomir J. Grabowski'''
@@ Ligne 359 : / Ligne 197 : @@
-:00-16:30 Kasper Mackeprang
+:00-16:30 Benoit de Courcy  [[File:pdf.png]][[Media:BdeCourcy.pdf|Slides]]‎
+''[[Abstract_pool_for_the_NCI_workshop#Benoit_de_Courcy|Unravelling Non Covalent Interactions within Flexible Biomolecules: from electron density topology to gas phase spectroscopy]]''
+:30-17:00 Kasper Mackeprang [[File:pdf.png]][[Media:KMackeprang.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Kasper_Mackeprang|Weak intramolecular OH···π hydrogen bonding in methallyl and allyl carbinol]]''
-:30-17:00 Christine Lepetit
+:00-17:30 Christine Lepetit  [[File:pdf.png]][[Media:lepetit.pdf|Slides]]‎
 ''[[Abstract_pool_for_the_NCI_workshop#Christine_Lepetit.2CaJordi_Poater.2Cb_Miquel_Sol.C3.A0.2CbJulia_Contreras-Garcia.2CcYves_Canac.2CaDavit_Zargarian.2Cd_Remi_Chauvin_a|Theoretical studies of the metal-phenylene interaction in a P(CH)P pincer rhodium(I) complex]]''
-'''17:00-17:30 Odile Eisenstein'''
+'''17:30-18:00 Odile Eisenstein'''
+''[[Abstract_pool_for_the_NCI_workshop#Bertrand_Castro.2Ca_Robin_Chaudret.2Cb_Gino_Ricci.2Cc_Gerhard_Kretzschmar.2Cd_Volker_Kraft.2Cd_Michael_Kurz.2Cd_Kai_Rossen.2Cd_and_Odile_Eisenstein.2Ca|Analysis of weak interactions for asymmetric synthesis: the case of the selective hydrogenation of artemisinic acid by diazene]]''
-''[[Abstract_pool_for_the_NCI_workshop#Odile Eisenstein|TBA]]''
+:00-18:30 <font color="orange">DISCUSSION</font> ''[[Media:Discussion_Johnson.pdf|Discussed items (PDF)]]''
-:30-18:00 <font color="orange">DISCUSSION</font>
+<font color="orange">''Discussion leader: Erin Johnson</font>
-:00-18:30 CLOSING
+:30-19:00 CLOSING

Différences entre les versions de « Program final NCI workshop »

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Différences entre les versions de « Program final NCI workshop »