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Meetings/Workshops on Atomic and Molecular Physics in Greece

Conference-Service.com offers, as part of our business activities, a directory of upcoming scientific and technical meetings. The calendar is published for the convenience of conference participants and we strive to support conference organisers who need to publish their upcoming events. Although great care is being taken to ensure the correctness of all entries, we cannot accept any liability that may arise from the presence, absence or incorrectness of any particular information on this website. Always check with the meeting organizer before making arrangements to participate in an event!

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1.go to top of page[ID=263191]ICCMSE 2009: Symposium 14 — Computational aspects of the modelling of vibrational properties of gases, liquids and solids
29 Sep 2009 → 04 Oct 2009; Crete, Greece
organizer: Seventh International Conference of Computational Methods in Sciences and Engineering

abstract: Vibrational spectroscopy is a particularly powerful tool for non-destructive characterisation of molecular systems. Besides routine analysis in a wide range of domains (food science, archaeology, astrophysics, medicine), numerous applications in molecular science, such as speciation, conformational analysis, molecular design and reactivity monitoring, can be based on the modelling of vibrational effects.

In recent years computational chemistry provides powerful tools for the modelling of such properties in the gas, liquid and solid phase although anharmonicity, resonances, environmental and dynamic effects render the problem non-trivial.

Several computational aspects will be emphasised in the present symposium: the quality of the potential electronic surface, time-dependent and time-independent approaches to the study of vibration, the treatment of the condensed phases (solvent, surfaces and bulk), the computation of intensities and possible ways to overcome actual limitations due to the size of the treated systems.

The performance of modern methods will be critically reviewed and their relative merit.

weblink: http://www.iccmse.org/Sessions_Minisymposia.htm
related subject(s): Chemoinformatics and Computational Chemistry; Physical Chemistry

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last updated: 01 April 2009