Publicacions en col·laboració amb investigadors/es de Universidad de Valladolid (25)

1997

  1. A theoretical study of the dynamics of the reaction of P+ with ammonia

    Molecular Physics, Vol. 92, Núm. 4, pp. 743-756

1995

  1. A theoretical study of the reaction of Si+ with ammonia

    Chemical Physics Letters, Vol. 240, Núm. 1-3, pp. 193-198

1994

  1. A theoretical study of the reaction of P+ with water. Potential energy surfaces and reaction dynamics

    Chemical Physics Letters, Vol. 230, Núm. 4-5, pp. 358-364

  2. High‐precision atomic computations from finite element techniques: Second‐order correlation energies for Be, Ca, Sr, Cd, Ba, Yb, and Hg

    Journal of Computational Chemistry, Vol. 15, Núm. 7, pp. 782-790

  3. Reactions of CH3+ with second-row atoms: An ab initio study

    Journal of Physical Chemistry, Vol. 98, Núm. 4, pp. 1090-1099

1993

  1. Accurate second‐order correlation energies for Mg and Ar

    International Journal of Quantum Chemistry, Vol. 45, Núm. 6, pp. 563-572

  2. High precision atomic computations from finite element techniques: Second-order correlation energies of rare gas atoms

    The Journal of Chemical Physics, Vol. 98, Núm. 7, pp. 5642-5647

1992

  1. Computation of the second-order correlation energies of Ne using a finite-element method

    Physical Review A, Vol. 46, Núm. 9, pp. 6063-6066

  2. From linear combinations to integrals: A new approach to the basis function problem

    Journal of Computational Chemistry, Vol. 13, Núm. 10, pp. 1199-1209

  3. Hierarchic computation of atomic correlation energies using a p-version finite element method

    Chemical Physics Letters, Vol. 195, Núm. 4, pp. 377-382

  4. Possible processes for the interstellar production of SiO: An ab-initio study

    Journal of Physical Chemistry, Vol. 96, Núm. 11, pp. 4414-4420

  5. Theoretical study of BC2H2 and AlC2H2 isomers. The interactions of B and Al atoms with acetylene

    Journal of Physical Chemistry, Vol. 96, Núm. 7, pp. 3015-3021

1991

  1. Theoretical studies of possible processes for interstellar production of phosphorus compounds. Reaction of P+ with methane

    Journal of Physical Chemistry, Vol. 95, Núm. 17, pp. 6553-6557

  2. Theoretical studies of possible processes for the interstellar production of phosphorus compounds. Reaction of P+ with ammonia

    Journal of Physical Chemistry, Vol. 95, Núm. 1, pp. 170-175

  3. Theoretical study of the interactions of Be and Mg atoms with acetylene

    Journal of Physical Chemistry, Vol. 95, Núm. 23, pp. 9278-9288

1990

  1. Low-lying states of AlC2 and SiC2+: Competition between linear and cyclic configurations

    Chemical Physics, Vol. 140, Núm. 1, pp. 19-26

1989

  1. A theoretical study of protonation of triatomic silicon–carbon compounds

    International Journal of Quantum Chemistry, Vol. 36, Núm. 3, pp. 241-253

  2. Multiple solutions of unrestricted Hartree‐Fock equations: The SNH+ radical as an example

    Journal of Computational Chemistry, Vol. 10, Núm. 3, pp. 295-301

  3. Solution of atomic Hartree-Fock equations with the P version of the finite element method

    The Journal of Chemical Physics, Vol. 91, Núm. 11, pp. 7030-7038

  4. The (SiNH2)+ isomers as intermediates in the interstellar production of SiNH: An ab initio study

    Journal of Molecular Structure: THEOCHEM, Vol. 183, Núm. 1-2, pp. 17-28