Química Física
Departamento
Universidad de La Habana
La Habana, CubaPublicaciones en colaboración con investigadores/as de Universidad de La Habana (29)
2024
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Formation of hollow silver nanoparticles under irradiation with ultrashort laser pulses
Nanophotonics, Vol. 13, Núm. 7, pp. 1149-1157
2023
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Topical issue on dynamics and photodynamics: from isolated molecules to the condensed phase
European Physical Journal D
2021
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Rod-sphere cluster irradiation with femtosecond laser pulses: Cut and paste at the nanoscale
Nanophotonics, Vol. 10, Núm. 12, pp. 3153-3159
2018
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Trajectory surface hopping study of the photodissociation dynamics of methyl radical from the 3s and 3pz Rydberg states
Chemical Physics Letters, Vol. 712, pp. 171-176
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Vibrational predissociation dynamics of the nitric oxide dimer
European Physical Journal D, Vol. 72, Núm. 7
2015
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Complexes of nitric oxide with water and imidazole
Theoretical Chemistry Accounts, Vol. 134, Núm. 7
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Experimental and theoretical characterization of a novel bis-pyrazoylmethane ligand
Magnetic Resonance in Chemistry
2013
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Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH
Magnetic Resonance in Chemistry, Vol. 51, Núm. 12, pp. 775-787
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Conformational and NMR study of some furan derivatives by DFT methods
Journal of Molecular Modeling
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Theoretical DFT karplus equations: Amino acid side-chain torsion angle χ1
International Journal of Quantum Chemistry
2012
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Combined nuclear magnetic resonance spectroscopy and molecular dynamics study of growth hormone releasing hexapeptide GHRP-6 and a cyclic analogue
Magnetic Resonance in Chemistry, Vol. 50, Núm. 5, pp. 364-371
2011
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Communication: Accurate determination of side-chain torsion angle 1 in proteins: Phenylalanine residues
Journal of Chemical Physics, Vol. 134, Núm. 6
2010
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NMR spin-spin coupling constants and hyperconjugative interactions
International Journal of Quantum Chemistry, Vol. 110, Núm. 3, pp. 532-539
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Steric and electronic situation in the 4-X-4′-[(4′-Y-Phenyl) ethynyl]biphenyl homologous series: A joint theoretical and spectroscopic study
Journal of Physical Chemistry A, Vol. 114, Núm. 8, pp. 2939-2944
2009
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Theoretical study of imidazole⋯no complexes
Journal of Physical Chemistry A, Vol. 113, Núm. 52, pp. 14595-14605
2008
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Approximating correlation effects in multiconfigurational self-consistent field calculations of spin-spin coupling constants
Journal of Chemical Physics, Vol. 128, Núm. 8
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DFT analysis of rotational barriers, 1H and 13C NMR chemical shifts in neutral and protonated furfurylidenanilines
Journal of Molecular Structure: THEOCHEM, Vol. 852, Núm. 1-3, pp. 78-82
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Influence of density functionals and basis sets on one-bond carbon-carbon NMR spin-spin coupling constants
Journal of Chemical Theory and Computation, Vol. 4, Núm. 3, pp. 448-456
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Interactions between simple radicals and water
Chemical Physics, Vol. 353, Núm. 1-3, pp. 193-201
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Karplus equation for3JHH spin-spin couplings with unusual3J(180°) < 3J(0°) relationship
Journal of Chemical Theory and Computation, Vol. 4, Núm. 9, pp. 1494-1500