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Fernández, Eva María, Vega, Andrés, Balbás, Luis Carlos (2013) Theoretical study of AlnV+ clusters and their interaction with Ar. The Journal of Chemical Physics, 139 (21). 214305pp. doi:10.1063/1.4834595

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical study of AlnV+ clusters and their interaction with Ar
JournalThe Journal of Chemical Physics
AuthorsFernández, Eva MaríaAuthor
Vega, AndrésAuthor
Balbás, Luis CarlosAuthor
Year2013 (December 7)Volume139
Issue21
PublisherAIP Publishing
DOIdoi:10.1063/1.4834595Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2364482Long-form Identifiermindat:1:5:2364482:5
GUID0
Full ReferenceFernández, Eva María, Vega, Andrés, Balbás, Luis Carlos (2013) Theoretical study of AlnV+ clusters and their interaction with Ar. The Journal of Chemical Physics, 139 (21). 214305pp. doi:10.1063/1.4834595
Plain TextFernández, Eva María, Vega, Andrés, Balbás, Luis Carlos (2013) Theoretical study of AlnV+ clusters and their interaction with Ar. The Journal of Chemical Physics, 139 (21). 214305pp. doi:10.1063/1.4834595
In(2013, December) The Journal of Chemical Physics Vol. 139 (21) AIP Publishing

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Fernández, Eva María, Balbás, Luis Carlos (2016) Multiple adsorption of molecular oxygen on small Au/Pd cationic clusters at finite temperature. A van der Waals density functional study. The Journal of Chemical Physics, 144 (22). 224308pp. doi:10.1063/1.4953556
Aguado, Andrés, Largo, Antonio, Vega, Andrés, Balbás, Luis Carlos (2012) On the electric dipole moments of small sodium clusters from different theoretical approaches. Chemical Physics, 399. 252-257 doi:10.1016/j.chemphys.2011.07.032
Aguilera-Granja, Faustino, Vega, Andrés, Balbás, Luis Carlos (2017) GGA/PBE study of the spin isomers of Fe34,40, Co23,34, and Co12Cu Clusters with Selected Geometries. Journal of the Mexican Chemical Society, 56. doi:10.29356/jmcs.v56i3.298
Aguilera-Granja, F., Vega, Andrés, Balbás, Luis Carlos (2013) A new family of star-like icosahedral structures for small cobalt clusters. Chemical Physics, 415. 106-111 doi:10.1016/j.chemphys.2012.12.037
Torres, M. B., Vega, A., Aguilera-Granja, F., Balbás, L. C. (2014) Titanium embedded cage structure formation in AlnTi+ clusters and their interaction with Ar. The Journal of Chemical Physics, 140 (17). 174304pp. doi:10.1063/1.4873436
Fernández, Eva M., Balbás, Luis C. (2022) Interactions of nitric oxide molecules with pure and oxidized silver clusters Agn±/AgnO± (n=11–13): A computational study. The Journal of Chemical Physics, 157 (7) 74310 doi:10.1063/5.0094996
Fernández, Eva M., Ordejón, Pablo, Balbás, Luis C. (2005) Theoretical study of O2 and CO adsorption on Aun clusters (n=5–10). Chemical Physics Letters, 408. 252-257 doi:10.1016/j.cplett.2005.04.058
Fernández, Eva M., Balbás, Luis C. (2006) Theoretical Study of CO Adsorption on Gold/Alumina Substrates. The Journal of Physical Chemistry B, 110 (21). 10449-10454 doi:10.1021/jp060426l
Fernández, Eva M., Balbás, Luis C. (2019) Study of odd–even effects in physisorption and chemisorption of Ar, N2, O2 and NO on open shell Ag11–13+ clusters by means of self-consistent van der Waals density functional calculations. Physical Chemistry Chemical Physics, 21 (45). 25158-25174 doi:10.1039/c9cp04865k
Cantera-López, Homero, Fernández, Eva M., Balbás, Luis Carlos, Borstel, Gunnar (2013) Adsorption of H, H2, and H2O inside and outside of (M@Si16F)6 tubelike aggregates and wires (M = V, Ta). A first principles study. Materials Chemistry and Physics, 139. 247-255 doi:10.1016/j.matchemphys.2013.01.031
Fernández, Eva M., Balbás, Luis C. (2023) Adsorption of multiple NO molecules on Au10− and Au9Zn− planar clusters. A comparative DFT study. Physical Chemistry Chemical Physics, 25 (26) 17176-17185 doi:10.1039/d3cp01710a
 
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