Departamento
Departamento de Química Física
Artigos (4) Publicacións nas que participase algún/ha investigador/a Ver datos de investigación referenciados.
no ano 2011
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Artigos
Desde o ano 2011
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Physical and Theoretical Chemistry
2011
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A DFT study of substituent effects in corannulene dimers
Physical Chemistry Chemical Physics, Vol. 13, Núm. 47, pp. 21139-21145
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Cucurbit[7]uril: Surfactant host-guest complexes in equilibrium with micellar aggregates
ChemPhysChem, Vol. 12, Núm. 7, pp. 1342-1350
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High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen
Journal of Chemical Physics, Vol. 134, Núm. 9
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Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction-induced electric properties in hydrogen-bonded complexes: A model study
Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 555-561