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Results: 3

Authors: Golebiowski, J Lamare, V Martins-Costa, MTC Millot, C Ruiz-Lopez, MF
Citation: J. Golebiowski et al., Role of electronic polarization on the liquid phase affinity of calixarene-crown-ethers towards alkali cations: a QM/MM molecular dynamics simulation, CHEM PHYS, 272(1), 2001, pp. 47-59

Authors: Bouchy, A Martins-Costa, MTC Millot, C Ruiz-Lopez, MF
Citation: A. Bouchy et al., Molecular dynamics simulation of carbonyl oxide in acetonitrile using combined DFT/MM potentials, J MOL ST-TH, 536(1), 2001, pp. 1-7

Authors: Bernal-Uruchurtu, MI Martins-Costa, MTC Millot, C Ruiz-Lopez, MF
Citation: Mi. Bernal-uruchurtu et al., Improving description of hydrogen bonds at the semiempirical level: Water-water interactions as test case, J COMPUT CH, 21(7), 2000, pp. 572-581
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