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Bibliographie 133<br />

219. Zhu, X. et Mackerell Jr., A. D. Polarizab<strong>le</strong> empirical force field for sulfur-containing<br />

compounds based on the classical Dru<strong>de</strong> oscillator mo<strong>de</strong>l. J. Comput. Chem. 31,<br />

2330–2341 (2010).<br />

220. Kumar, R., Wang, F.-F., Jenness, G. R. et Jordan, K. D. A second generation<br />

distributed point polarizab<strong>le</strong> water mo<strong>de</strong>l. J. Chem. Phys. 132, 014309 (2010).<br />

221. Jensen, L., Åstrand, P.-O., Osted, A., Kongsted, J. et Mikkelsen, K. V. Polarizability<br />

of mo<strong>le</strong>cular clusters as calculated by a dipo<strong>le</strong> interaction mo<strong>de</strong>l. J. Chem. Phys.<br />

116, 4001–4010 (2002).<br />

222. Jensen, L., Swart, M., van Duijnen, P. T. et Snij<strong>de</strong>rs, J. G. Medium perturbations on<br />

the mo<strong>le</strong>cular polarizability calculated within a localized dipo<strong>le</strong> interaction mo<strong>de</strong>l.<br />

J. Chem. Phys. 117, 3316 (2002).<br />

223. Jensen, L., van Duijnen, P. T. et Snij<strong>de</strong>rs, J. G. A discrete solvent reaction field<br />

mo<strong>de</strong>l within <strong>de</strong>nsity functional theory. J. Chem. Phys. 118, 514 (2003).<br />

224. Masia, M., Probst, M. et Rey, R. On the performance of mo<strong>le</strong>cular polarization<br />

methods. II. Water and carbon tetrachlori<strong>de</strong> close to a cation. J. Chem. Phys. 123,<br />

164505 (2005).<br />

225. Holt, A. et Karlström, G. An intramo<strong>le</strong>cular induction correction mo<strong>de</strong>l of the<br />

mo<strong>le</strong>cular dipo<strong>le</strong> moment. J. Comp Chem. 29, 1084–1091 (2007).<br />

226. Mayer, A., Gonza<strong>le</strong>z, A., Aikens, C. et Schatz, G. A charge-dipo<strong>le</strong> interaction mo<strong>de</strong>l<br />

for the frequency-<strong>de</strong>pen<strong>de</strong>nt polarizability of silver clusters. Nanotechnology 20,<br />

195204 (2009).<br />

227. Zhao, K., Yu, Y. et Luo, Y. Mo<strong>le</strong>cular dynamics and quantum chemistry study on<br />

conformations and optical properties of hydrogen bon<strong>de</strong>d dipolar merocyanine dyes.<br />

J. Phys. Chem. B 113, 10271–10276 (2009).<br />

228. Millot, C. et Stone, A. J. Towards an accurate intermo<strong>le</strong>cular potential for water.<br />

Mol. Phys. 77, 439–462 (1992).<br />

229. Meredith, A. W. et Stone, A. J. An ab Initio and Diffusion Monte Carlo Study of<br />

the Potential Energy Surface of the CO Dimer. J. Phys. Chem. A 102, 434–445<br />

(1998).<br />

230. Millot, C., Soetens, J.-C. et Martins Costa, M. T. C. Revised Anisotropic Site<br />

Potentials for the Water Dimer and Calculated Properties. J. Phys. Chem. A 102,<br />

754–770 (1998).

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