Publikationen, an denen er mitarbeitet Álvaro Cimas Samaniego (18)

2013

  1. Computational study of peptide bond formation in the gas phase through ion-molecule reactions

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 31, pp. 13005-13012

2012

  1. Computational study of the reaction of P + with acetylene: Does spin-crossing play a significant role?

    Journal of Physical Chemistry A

2007

  1. Charged titanium-doped carbon clusters: Structures and energetics

    International Journal of Mass Spectrometry, Vol. 266, Núm. 1-3, pp. 50-61

2006

  1. A computational study on the reaction of N(2D) atoms with CH2Cl radicals

    Chemical Physics Letters, Vol. 422, Núm. 1-3, pp. 276-281

  2. On the reaction of ground-state nitrogen atoms with bromomethyl radicals: A computational study

    International Journal of Mass Spectrometry, Vol. 249-250, pp. 451-461

  3. Reaction of N(2D) atoms with bromomethyl radicals: A theoretical study

    Chemical Physics, Vol. 328, Núm. 1-3, pp. 45-52

  4. Structure of small TiCn clusters: A theoretical study

    Chemical Physics, Vol. 330, Núm. 3, pp. 431-440

  5. The reaction of nitrogen atoms with methyl radicals: Are spin-forbidden channels important?

    Journal of Physical Chemistry A, Vol. 110, Núm. 37, pp. 10912-10920

2005

  1. A computational study of the reaction of ground-state nitrogen atoms with chloromethyl radicals

    Journal of Physical Chemistry A, Vol. 109, Núm. 29, pp. 6540-6548

  2. Computational study of the reaction of N ( 2D) atoms with C H 2 F radicals: An example of a barrier-free reaction involving very high internal energies

    Journal of Chemical Physics, Vol. 123, Núm. 11

2004

  1. Structure and stability of small NaCn, NaCn+, and NaCn- clusters: A theoretical study

    Journal of Physical Chemistry A, Vol. 108, Núm. 1, pp. 212-224

2003

  1. Computational study on the kinetics of the reaction of N(4S) with CH2F

    Chemical Physics Letters, Vol. 374, Núm. 5-6, pp. 594-600

  2. Structure and stability of BC2P isomers: A theoretical study

    Journal of Molecular Structure: THEOCHEM, Vol. 633, Núm. 1, pp. 57-65

  3. Theoretical study of MgCn, MgCn+, MgCn- (n = 1-7) open-chain clusters

    Journal of Physical Chemistry A, Vol. 107, Núm. 23, pp. 4676-4682

  4. Theoretical study of small MgCn, MgCn+, and MgCn- cyclic clusters

    Journal of Physical Chemistry A, Vol. 107, Núm. 32, pp. 6317-6325

2001

  1. Structure and stability of AlC2N isomers: A comparative ab initio and DFT study

    Journal of Physical Chemistry A, Vol. 105, Núm. 27, pp. 6724-6728

  2. The reaction of N(4S) with CH2F: A comparative ab initio and DFT study

    Journal of Physical Chemistry A, Vol. 105, Núm. 43, pp. 9917-9925

  3. Theoretical study of CnCl, CnCl+, CnCl- (n = 1-7) clusters

    International Journal of Quantum Chemistry