Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Uppsala University
Upsala, SueciaPublicaciones en colaboración con investigadores/as de Uppsala University (10)
2005
-
Theoretical methods that help understanding the structure and reactivity of gas phase ions
International Journal of Mass Spectrometry, Vol. 240, Núm. 1, pp. 37-99
2002
-
Partitioning technique and transport across molecular interfaces: Many-body effects
International Journal of Quantum Chemistry, Vol. 90, Núm. 1, pp. 14-19
1998
-
Molecular wire interconnects: Chemical structural control, resonant tunneling and length dependence
VLSI Design, Vol. 8, Núm. 1-4, pp. 65-74
1991
-
Formulation of N‐ and v‐representable density functional theory. IV. Non‐Born–Oppenheimer approach
International Journal of Quantum Chemistry, Vol. 40, Núm. 5, pp. 589-604
1987
-
Dynamic coordinate separation and state-dependent potentials. An analysis of localization in helium
Chemical Physics, Vol. 112, Núm. 2, pp. 159-172
1986
-
Adiabatic coordinate separation and large N‐dimensional limit in two‐electron ions
International Journal of Quantum Chemistry, Vol. 29, Núm. 4, pp. 897-908
1985
-
Fermion-propagator calculations of excitations in polyenes with the use of a Heisenberg (XYZ) Hamiltonian. I. Formalism and parametrization
Physical Review B, Vol. 32, Núm. 6, pp. 4178-4185
-
Fermion-propagator calculations of excitations in polyenes with the use of a Heisenberg (XYZ) Hamiltonian. II. Applications to large systems
Physical Review B, Vol. 32, Núm. 6, pp. 4186-4191
1984
-
Electron correlation in doubly excited states of helium and extensions to beryllium and magnesium
Chemical Physics, Vol. 87, Núm. 3, pp. 473-484
1982
-
Virial fragments and the Hohenberg–Kohn functional
International Journal of Quantum Chemistry, Vol. 21, Núm. 5, pp. 927-935