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Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine

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Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa, Italy
E-mail: vincenzo.barone@sns.it
Center for Nanotechnology Innovation @NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, I-56127 Pisa, Italy
Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), UOS di Pisa, Area della Ricerca CNR, Via G. Moruzzi 1, I-56124 Pisa, Italy
Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, Via F. Selmi 2, 40126 Bologna, Italy
E-mail: cristina.puzzarini@unibo.it
Phys. Chem. Chem. Phys., 2013,15, 10094-10111

DOI: 10.1039/C3CP50439E
Received 30 Jan 2013, Accepted 28 Mar 2013
First published online 02 Apr 2013

This article is part of themed collection: Spectroscopy and dynamics of medium-sized molecules and clusters
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