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Basis sets
15
"Non homogeneous solution to a Coulomb Schrödinger equation as a basis set for scattering problems" (2014) Del Punta, J.A.;Ambrosio, M.J.;Gasaneo, G. (...)Zaytsev, S.A. 28th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2013. 488(SECTION 4)
"Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH" (2013) San Fabián, J.;García De La Vega, J.M.;Suardíaz, R. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 51(12):775-787
"Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH" (2013) San Fabián, J.;García De La Vega, J.M.;Suardíaz, R. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 51(12):775-787
"Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH" (2013) San Fabián, J.;García De La Vega, J.M.;Suardíaz, R. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 51(12):775-787
"New approach for approximating the continuum wave function by Gaussian basis set" (2012) Fiori, M.; Miraglia, J.E. Computer Physics Communications. 183(12):2528-2534
"Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach" (2012) Alcoba, D.R.;Tiznado, W.;Oña, O.B. (...)Lain, L. Chemical Physics Letters. 533:114-117
"Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study" (2012) Kjær, H.;Nielsen, M.R.;Pagola, G.I. (...)Sauer, S.P.A. Journal of Computational Chemistry. 33(23):1845-1853
"Ground and excited state similarity studies by means of Fukui and dual-descriptor matrices" (2012) Alcoba, D.R.;Lain, L.;Torre, A. (...)Tiznado, W. Chemical Physics Letters. 549:103-107
"Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods" (2011) Arcisauskaite, V.; Melo, J.I.; Hemmingsen, L.; Sauer, S.P.A. Journal of Chemical Physics. 135(4)
"Conformational pathways of simple six-membered rings" (2010) Stortz, C.A. Journal of Physical Organic Chemistry. 23(12):1173-1186
"Ground state for two-electron and electron-muon three-body atomic systems" (2010) Rodriguez, K.V.; Ancarani, L.U.; Gasaneo, G.; Mitnik, D.M. International Journal of Quantum Chemistry. 110(10):1820-1832
"Vibrational contributions to vicinal proton-proton coupling constants3JHH" (2010) Esteban, A.L.;Díez, E.;Galache, M.P. (...)Contreras, R.H. Molecular Physics. 108(5):583-595
"Ultrashort laser pulses in metal surfaces: Origin of spurious fluctuations in fully quantal calculations" (2009) Mitnik, D.M.;Gravielle, M.S.;Kamber E.Y. (...)Gorczyca T.W. 26th International Conference on Photonic, Electronic and Atomic Collisions. 194(3)
"Theory of hyperspherical sturmians for three-body reactions" (2009) Gasaneo, G.;Mitnik, D.M.;Frapiccini, A.L. (...)Randazzo, J.M. Journal of Physical Chemistry A. 113(52):14573-14582