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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 103, 2005 - Issue 18: A Special Issue in Honour of Professor Victor Saunders
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Original Articles

Quantum mechanical calculation of the OH vibrational frequency in crystalline solids

S. Tosoni * Dipartimento di Chimica IFM and NIS–Nanostructured Interfaces and Surfaces – Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino, Italy
,
F. Pascale Laboratoire de Cristallographie et Modélisation des, Matériaux Minéraux et Biologiques (LCM3B), UMR 7036, Groupe Biocristallographie, Université Henri Poincaré, Nancy I, Faculté des Sciences, BP 239, 54506 Vandoeuvre lès Nancy CEDEX, France
,
P. Ugliengo Dipartimento di Chimica IFM and NIS–Nanostructured Interfaces and Surfaces – Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino, Italy
,
R. Orlando Dipartimento di Scienze e Tecnologie Avanzate, Università del Piemonte Orientale, C.so Borsalino 54, 15100 Alessandria, Italy
,
V. R. Saunders Dipartimento di Chimica IFM and NIS–Nanostructured Interfaces and Surfaces – Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino, Italy
&
R. Dovesi Dipartimento di Chimica IFM and NIS–Nanostructured Interfaces and Surfaces – Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino, Italy
Pages 2549-2558 | Received 22 Apr 2004, Accepted 31 Aug 2004, Published online: 19 Aug 2006

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