Publicaciones en las que colabora con ENRIQUE MANUEL CABALEIRO LAGO (7)

2021

  1. New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 9, pp. 5556-5567

2018

  1. Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals

    Journal of Physical Chemistry A, Vol. 122, Núm. 21, pp. 4790-4800

2000

  1. A quantum chemical study of aniline/ammonia clusters. Thermodynamic properties and frequency analysis

    Journal of Molecular Structure: THEOCHEM, Vol. 497, Núm. 1-3, pp. 105-113

  2. DFT conformational study of cysteine in gas phase and aqueous solution

    Journal of Molecular Structure: THEOCHEM, Vol. 498, Núm. 1-3, pp. 191-200

  3. Intermolecular interactions and cooperative effects in acetonitrile clusters. An ab initio molecular orbital study

    Journal of Molecular Structure: THEOCHEM, Vol. 498, Núm. 1-3, pp. 21-28

1999

  1. A DFT study of a model compound of vitamin D

    Journal of Molecular Structure: THEOCHEM, Vol. 492, Núm. 1-3, pp. 143-150

  2. An ab initio study of a model compound of penicillins

    Journal of Molecular Structure: THEOCHEM, Vol. 491, Núm. 1-3, pp. 177-185