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2005
867
Journal of Chemical Physics
11
"A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in molecules" (2005) Alcoba, D.R.; Lain, L.; Torre, A.; Bochicchio, R.C. Journal of Chemical Physics. 123(14)
"Classical molecular-dynamics simulation of the hydroxyl radical in water" (2005) Campo, M.G.; Grigera, J.R. Journal of Chemical Physics. 123(8)
"Correlated holes and their relationships with reduced density matrices and cumulants" (2005) Bochicchio, R.C.; Torre, A.; Lain, L. Journal of Chemical Physics. 122(8)
"Electron-density topology in molecular systems: Paired and unpaired densities" (2005) Lobayan, R.M.; Bochicchio, R.C.; Lain, L.; Torre, A. Journal of Chemical Physics. 123(14)
"Energy decompositions according to physical space partitioning schemes" (2005) Alcoba, D.R.; Torre, A.; Lain, L.; Bochicchio, R.C. Journal of Chemical Physics. 122(7)
"Homoclinic motions in the vibrational spectra of floppy systems: The LiCN molecule" (2005) Borondo, F.;Vergini, E.;Wisniacki, D.A. (...)Benito, R.M. Journal of Chemical Physics. 122(11)
"Nonlinear response of the benzene molecule to strong magnetic fields" (2005) Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Journal of Chemical Physics. 122(7)
"Relativistic calculation of indirect NMR spin-spin couplings using the Douglas-Kroll-Hess approximation" (2005) Melo, J.I.; De Azúa, M.C.R.; Peralta, J.E.; Scuseria, G.E. Journal of Chemical Physics. 123(20)
"Relativistic corrections to the diamagnetic term of the nuclear magnetic shielding: Analysis of contributions from localized orbitals" (2005) Gómez, S.S.;Melo, J.I.;Romero, R.H. (...)De Azúa, M.R. Journal of Chemical Physics. 122(6)
"SERS in PAH-Os and gold nanoparticle self-assembled multilayers" (2005) Tognalli, N.;Fainstein, A.;Calvo, E. (...)Etchegoin, P. Journal of Chemical Physics. 123(4)
"Theoretical study of the adsorption of H on Si n clusters, (n=3-10)" (2005) Tiznado, W.;Ona, O.B.;Bazterra, V.E. (...)Fuentealba, P. Journal of Chemical Physics. 123(21)