Theoretical investigations of the IR spectroscopy of Ni(C2S2H2)2. A case study of the P_VMWCI2 algorithm including anharmonic effects
Abstract
The near infrared (NIR)
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* Corresponding authors
a
Université de Pau et des Pays de l'Adour-IPREM, ECP-UMR CNRS 5254, Helioparc, 2 av. du président Angot, 64053 Pau Cedex 09, France
E-mail:
didier.begue@univ-pau.fr
b Institute of Organic and Pharmaceutical Chemistry, National Hellenic Research Foundation, 48 Vas. Constsantinou Ave., Athens 116 35, Greece
c Beijing Huijia Private School, 157 Changhuai Rd, Beijing, China
d Molecular Science Institute, Universitat de València, Apartado 22085, ES-46071 Valencia, Spain
The near infrared (NIR)
D. Bégué, P. Labéguerie, D. Y. Zhang-Negrerie, A. Avramopoulos, L. Serrano-Andrés and M. G. Papadopoulos, Phys. Chem. Chem. Phys., 2010, 12, 13746 DOI: 10.1039/C0CP00760A
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