You are here

Program

Wednesday 12/09/2012

Thursday 13/09/2012

Friday 14/09/2012

8:30

Registration/Opening

9:00

Pedro Castaño

9:00

David López-Durán

9:30

Valerio Lattanzi

9:30

Chris-Kriton Skylaris

9:30

Silke Ospelkaus

10:00

Anouk M. Rijs

10:00

Barbara Michela Giuliano

10:00

Filippo Lipparini

10:30

Camilla Calabrese

10:20

Massimiliano Pasquini

10:20

Marco Caricato

10:50

Qian Gou

10:40

José P. Cerón Carrasco

10:40

Anna Pikulska

11:10

Coffee break

11:00

Coffee break

11:00

Coffee break

11:30

Sonia Coriani

11:20

Marco Garavelli

11:20

Adriana Olbert-Majkut

12:00

Ermelinda M. S. Maçôas

11:50

Monica Lira-Cantu

11:50

Florent Calvo

12:30

Clemens Woywod

12:20

David Picconi

12:20

Julien Bloino

12:50

Franco Egidi

12:40

Francisco Avila

12:40

Jan Lundell

13:10

Lunch break

13:00

Lunch break

13:00

Lunch break

15:30

Andreas Köhn

15:30

Debora Berti

15:30

Massimiliano Bartolomei

16:00

Corentin Boilleau

16:00

Marco Anelli

16:00

Roberto Linguerri

16:20

Olga V. Ershova

16:20

José L. C. Fajín

16:30

Lola González-Sánchez

16:40

Coffee break

16:40

Anna Stachowicz

16:50

Coffee break

17:00

Magdalena Pecul

17:00

Coffee break

17:10

Pedro Bargueño

17:30

Akbar Salam

17:20

Jordi Mur-Petit

17:30

Ivan Carnimeo

18:50

Milan Ončák

17.50

David Mateo

17:50

Cèline Toubin

18:10

Apéritif/Poster session

18:10

Cristina Sanz-Sanz

18:10

 Closing remarks

 

 

18:30

Álvaro Valdés

 

 

 

 

19:30

Conference dinner

 

 

 

Oral presentations:

Camilla Calabrese - Rotational spectroscopy: a specific tool to investigate the conformational preferences of molecules

Qian Gou - Fourier Transform microwave studies on dimers of carboxylic acids

Clemens Woywod - Theoretical investigation of a model system for molecular photoswitch functionality

Franco Egidi - Efficient calculation of Resonance Raman spectra with the inclusion of Duschinsky and temperature effects.

Corentin Boilleau - Accurate many-body perturbative approach to the computation of singlet-triplet energy gap in diradicals: the case of 4,6-trifluoromethyl m-phenylene Bis(ter-butyl)-nitroxide

Olga V. Ershova - A theoretical study of excited C2Π and D2Σ+  states of  nitric oxide – argon complex

Akbar Salam - Resonance energy transfer: influence of a third body

Milan Ončák - Insight into hydrated electron structure by absorption spectra modeling

Barbara Michela Giuliano - Matrix-isolated tyramine: relevance of weak H-bonding to the conformers relative stability and photochemistry

Massimiliano Pasquini - The anisole dimer: excited state structure and dissociation dynamics

José P. Cerón Carrasco - Interplay between tautomeric equilibria and mutations in DNA

David Picconi - Models for quantum dynamical simulations of photoexcited molecules. Investigating the photostability of nucleobases

Francisco Avila - Duschinsky, Herzberg-Teller and electronic resonance interferential effects in the Resonance Raman spectra  of pyrene

Marco Anelli - Higher order contributions and modeling of the metal substrate in SERS and SEROA

José L. C. Fajín - On the theoretical understanding of the unexpected O2 activation by nanoporous gold

Anna Stachowicz - Charge sensitivity approach to mutual polarization of reactants: molecular mechanics perspective

David Mateo - Real time dynamics of the desorption of atomic impurities from 4He droplets

Cristina Sanz-Sanz - Infrared predissociation spectra of H5+

Álvaro Valdés - Theoretical study of the vibrational states of the H5+ / D5+ clusters

Filippo Lipparini - TBA

Marco Caricato - (1S,4S)-Norbornenone: a mystery finally revealed?

Anna Pikulska - Circular dichroism (CD) of thioflavin T (THT) and green fluorescent protein (GFP)

Julien Bloino - Robust and user-friendly models beyond the harmonic level of theory for vibrational spectroscopy

Jan Lundell - Computational studies of hydrogen-bonded HXeSH…HS complex

Lola González-Sánchez - Reactive collisions for Cl + HD (v=1;j=1):mechanisms at 0.76 and 1.00 eV

Pedro Bargueño - A Langevin canonical approach to the dynamics of two–level systems

Ivan Carnimeo - TBA

Cèline Toubin - Theoretical    investigation    of        H2CO    and    H3COH    formation    in    the    interstellar    medium

 

 

 

 

Webmaster: Daniele Licari - webmaster@imampc2012.sns.it