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LICC Laboratorio Interdipartimentale di Chimica Computazionale

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Address

14th JULY 2009

Università degli Studi di Padova

Dipartimento di Scienze Chimiche

Via Marzolo 1 35131 Padova ITALY

Scientific coordinator: Antonino Polimeno

System manager: Gian Pietro Sella

Activities

15th JULY 2009

LICC is a computational facility dedicated to in silico description of soft- and hard materials and biosystems.
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Software repository

16th JULY 2009

A repository of software is available for diverse chemical applications, under open source license.
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Software

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14th JULY 2009

A repository of software is available for diverse chemical applications, under open source license.

In particular a suite fo programs dedicated to magnetic spectroscopies (interpretation of relxation properties from nuclear magnetic resonance, NMR and simualtion of electron spin resonance spectra, ESR) is made available. The link between theoretical predictive methodologies and MR spectroscopies dates back to several decades, and it is due to a happy coincidence between experimental needs and available interpretative tools. MR spectroscopies are intrinsically amenable to an advanced theoretical interpretation: the tools needed are based on quantum chemistry, as far as the parameters of the spin Hamiltonian are concerned, and on statistical thermodynamics, for the spectral lineshapes.

All packages are provide under Open Source License. Installation may require :

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