José Campos-Martínez
(CSIC), Dr.
Massimiliano Bartolomei
(Instituto de Física Fundamental - CSIC)
18/07/2017, 15:10
Dr.
Nadine HALBERSTADT
(CNRS and Université Toulouse III Paul Sabatier)
18/07/2017, 15:15
Molecular Physics at the Edge
Oral parallel contribution
see attached file
Prof.
Cecilia Coletti
(Dipartimento di Farmacia, Università G. d'Annunzio Chieti-Pescara)
18/07/2017, 15:45
Molecular Physics at the Edge
Oral parallel contribution
IR vibrational spectroscopy is a widespread technique for the characterization of molecules in gas phase, highly sensitive to small structural changes, like hydrogen bonding patterns, thus allowing the detection of motifs and signatures o¬¬ccurring in relevant processes. In the case of gaseous ions, the low density of the sampled species requires the use of a sensitive 'action' spectroscopy...
Dr.
José M. Fernández
(Instituto de Estructura de la Materia CSIC)
18/07/2017, 16:05
Molecular Physics at the Edge
Oral parallel contribution
State-to-state rate coefficients for the inelastic collisions of O2 with He at low temperature are investigated by means of an experimental procedure based on supersonic gas jets probed by Raman spectroscopy. The procedure employs a kinetic master equation (MEQ) which describes the time evolution of the rotational populations of O2 along three supersonic jets of O2 + He mixtures. The MEQ is...
Dr.
Andrea Lombardi
(Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia)
18/07/2017, 16:25
Molecular Physics at the Edge
Oral parallel contribution
The development of realistic kinetic models of gaseous systems is a fundamental issue in the study of Earth and planetary atmospheres, plasma chemistry, gas flows and astrochemistry. Particularly, the adoption of a state-to-state level of detail in the description of the molecular energy transfer [1,2], a desirable and necessary improvement, requires much insight into the dynamics of the...
Dr.
Emilio Martinez-Nunez
(Universidade de Santiago de Compostela)
18/07/2017, 16:45
Molecular Physics at the Edge
Oral parallel contribution
A novel computational method is proposed in this talk for use in discovering reaction mechanisms and solving the kinetics in reactive systems [1,2]. The method does not rely on either chemical intuition or assumed a priori mechanisms, and it works in a fully automated fashion. It has two components: accelerated chemical dynamics simulations and a post-processing geometry-based algorithm that...
Dr.
Klaus von Haeften
(K-nano)
18/07/2017, 17:30
Molecular Physics at the Edge
Oral parallel contribution
The interaction of molecules determines chemical reactions and biological processes. Very fine details of such interactions can be unravelled using rotational spectroscopy thanks to its great resolving power. However, rotational spectroscopy is usually restricted to the gas phase. In the condensed phases, interactions are usually so strong that rotational features are overshadowed. An...
Prof.
Ángel Martín Pendás
(Universidad de Oviedo)
18/07/2017, 18:00
Molecular Physics at the Edge
Oral parallel contribution
A not completely extinguished fire on the nature of the chemical bond in the C2 molecule [1] has re-openened several dormant fronts on the interpretation of bond energies. One of these regards whether we should measure bond strengths with respect to the ground states of the isolated fragments that become bonded, leading to standard bond dissociation energies (BDE), or if appropriately...
Dr.
Antonio Sarsa
(Universidad de Córdoba, Spain)
18/07/2017, 18:20
Molecular Physics at the Edge
Oral parallel contribution
The study of confinement effects on atomic and molecular systems has been a topic of recent
interest [1]. Experimentally it has been possible to insert atoms and molecules within molecular
nanocavities. This brings the possibility of employing such as novel structures for different
applications, ranging from energy storage and transport to medical use. In addition, depending on
the...
Dr.
Fermin Huarte-Larrañaga
(Universitat de Barcelona)
18/07/2017, 18:40
Molecular Physics at the Edge
Oral parallel contribution
The role of nanostructured materials in both fundamental and applied research is ever increasing due to their interesting and unique properties, from catalysis to electronics [1,2]. A specific field of interest is the understanding and development of storage devices for light gases, specially for energy applications (hydrogen) or environmental reasons (CO2, H2S). Carbon nanotubes have been...
Dr.
MARIA PILAR DE LARA CASTELLS
(INSTITUTO DE FISICA FUNDAMENTAL, CSIC)
18/07/2017, 19:00
Molecular Physics at the Edge
Oral parallel contribution
High-surface areas and precisely tuned pores of carbon nanotubes make them relevant materials for applications such as in gas adsorption, selective separation of light isotopes, and nanoreactors for quasi one-dimensional confinement of metal nanoparticles. Understanding the role of quantum nuclear effects and intramolecular interactions in the motion of molecules in carbon nanotubes is deeply...
