ANTONIO
LARGO CABRERIZO
CATEDRATICOS DE UNIVERSIDAD
Álvaro
Cimas Samaniego
Publications by the researcher in collaboration with Álvaro Cimas Samaniego (16)
2013
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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
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Computational study of the reaction of P + with acetylene: Does spin-crossing play a significant role?
Journal of Physical Chemistry A
2006
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A computational study on the reaction of N(2D) atoms with CH2Cl radicals
Chemical Physics Letters, Vol. 422, Núm. 1-3, pp. 276-281
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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
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Reaction of N(2D) atoms with bromomethyl radicals: A theoretical study
Chemical Physics, Vol. 328, Núm. 1-3, pp. 45-52
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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
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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
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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
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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
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Computational study on the kinetics of the reaction of N(4S) with CH2F
Chemical Physics Letters, Vol. 374, Núm. 5-6, pp. 594-600
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Structure and stability of BC2P isomers: A theoretical study
Journal of Molecular Structure: THEOCHEM, Vol. 633, Núm. 1, pp. 57-65
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Theoretical study of MgCn, MgCn+, MgCn- (n = 1-7) open-chain clusters
Journal of Physical Chemistry A, Vol. 107, Núm. 23, pp. 4676-4682
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Theoretical study of small MgCn, MgCn+, and MgCn- cyclic clusters
Journal of Physical Chemistry A, Vol. 107, Núm. 32, pp. 6317-6325
2001
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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
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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
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Theoretical study of CnCl, CnCl+, CnCl- (n = 1-7) clusters
International Journal of Quantum Chemistry