Différences entre les versions de « Program final NCI workshop »
| Ligne 31 : | Ligne 31 : | ||
| − | 11:00-11:30 | + | 11:00-11:30 Piotr de Silva |
| − | ''[[Abstract_pool_for_the_NCI_workshop# | + | ''[[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)]]'' |
| Ligne 118 : | Ligne 118 : | ||
'''16:00-17:00 Paul Popelier''' | '''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 155 : | Ligne 155 : | ||
11:00-11:30 Vincent Tognetti | 11:00-11:30 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]]'' |
11:30-12:00 Verònica Postils | 11:30-12:00 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]]'' |
| − | 12:00-12:30 | + | 12:00-12:30 Alberto Otero-de-la-Roza |
| − | [[Abstract_pool_for_the_NCI_workshop# | + | ''[[Abstract_pool_for_the_NCI_workshop#Alberto Otero-de-la-Roza and Erin Johnson|Exchange and correlation effects on non-covalent interactions]]'' |
Version du 31 mai 2013 à 12:01
<<< Topological Approaches to Intermolecular Interactions workshop main page
Detailed Program
Wednesday 26th
Chairperson:
9:30-10:30 Frank de Proft
10:30-11:00 BREAK
11:00-11:30 Piotr de Silva
Probing Aromaticity and Non-Covalent Interactions with Single Exponential Decay Detector (SEDD)
11:30-12:00 Gabriele Saleh
12:00-12:30 Eduard Matito
Multicenter Bond Index: a versatile tool to characterize electron delocalization and aromaticity
12:30-14:30 LUNCH
Chairperson:
14:30-15:30 Ángel Martín Pendás
15:30-16:00 BREAK
16:00-16:30 Sílvia Simon
Delocalization Indices for Non-Covalent Interaction
16:30-17:00 Ferran Feixas
17:00-17:30 Piotr Kasprzycki
17:30-18:00 DISCUSSION
18:00-20:00 POSTER SESSION
Thursday 27th
Chairperson:
9:30-10:30 Manuel Yáñez
Playing around with Beryllium Bonds
10:30-11:00 BREAK
11:00-11:30 Marc Garcia-Borràs
11:30-12:00 Mercedes Alonso
12:00-12:30 Mónica Calatayud
12:30-14:30 LUNCH
14:30-16:00 VISITS
Chairperson:
16:00-17:00 Paul Popelier
Quantum Chemical Topology: on Bonds and Force Fields
17:00-17:30 Hélène Gerard
Interactions within heterobimetallic complexes
17:30-18:00 Robin Chaudret
Non covalent interaction within reactive and dynamic systems : a presentation of ELF/NCI and aNCI
18:00-18:30 Arturo Espinosa
20:00 DINNER
Friday 28th
Chairperson:
9:30-10:30 Weitao Yang
10:30-11:00 BREAK
11:00-11:30 Vincent Tognetti
QTAIM/DFT descriptors for the description of “weak” interactions
11:30-12:00 Verònica Postils
Characterization and Identification of Electrides
12:00-12:30 Alberto Otero-de-la-Roza
Exchange and correlation effects on non-covalent interactions
12:30-14:30 LUNCH
Chairperson:
14:30-15:30 Slawomir J. Grabowski
Non-covalent interactions: characteristics and mechanisms of formation - the topological approach
15:30-16:00 BREAK
16:00-16:30 Kasper Mackeprang
Weak intramolecular OH···π hydrogen bonding in methallyl and allyl carbinol
16:30-17:00 Christine Lepetit
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 DISCUSSION
18:00-18:30 CLOSING
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