Publicaciones (38) Publicaciones de DUNCAN JOHN MOWBRAY

2019

  1. Optical excitations of chlorophyll a and b monomers and dimers

    Journal of Chemical Physics, Vol. 151, Núm. 17

2016

  1. Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes

    Journal of Physical Chemistry C, Vol. 120, Núm. 32, pp. 18316-18322

  2. Erratum: Using G0W0 Level Alignment to Identify Catechol's Structure on TiO2(110) (J. Phys. Chem. C (2015) 119:34 (19634-19641) DOI: 10.1021/acs.jpcc.5b05392)

    Journal of Physical Chemistry C

  3. Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110)

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 6, pp. 2843-2852

  4. Photoinduced absorption within single-walled carbon nanotube systems

    Journal of Physical Chemistry C, Vol. 120, Núm. 3, pp. 1926-1935

  5. Theoretical Insight into the Internal Quantum Efficiencies of Polymer/C60 and Polymer/SWNT Photovoltaic Devices

    Journal of Physical Chemistry C, Vol. 120, Núm. 12, pp. 6336-6343

2015

  1. Calculation of the graphene C 1s core level binding energy

    Physical Review B - Condensed Matter and Materials Physics, Vol. 91, Núm. 8

  2. Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2

    ACS Catalysis, Vol. 5, Núm. 7, pp. 4242-4254

  3. Quantum-ionic features in the absorption spectra of homonuclear diatomic molecules

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 91, Núm. 3

  4. Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2O on TiO2(110)

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 1, pp. 239-251

  5. Using G0W0 Level Alignment to Identify Catechol's Structure on TiO2(110)

    Journal of Physical Chemistry C, Vol. 119, Núm. 34, pp. 19634-19641

2014

  1. Coverage dependence of the level alignment for methanol on TiO2(110)

    Computational and Theoretical Chemistry, Vol. 1040-1041, pp. 259-265

  2. Gas sensing and thermal transport through carbon-nanotube-based nanodevices

    Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 99-136

  3. Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene

    Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 47, Núm. 12

  4. PFO-BPy solubilizers for SWNTs: Modelling of polymers from oligomers

    Physica Status Solidi (B) Basic Research, Vol. 251, Núm. 12, pp. 2407-2412

  5. Photoinduced C-C reactions on insulators toward photolithography of graphene nanoarchitectures

    Journal of the American Chemical Society, Vol. 136, Núm. 12, pp. 4651-4658

  6. Quasiparticle level alignment for photocatalytic interfaces

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 5, pp. 2103-2113

  7. Revealing the adsorption mechanisms of nitroxides on ultrapure, metallicity-sorted carbon nanotubes

    ACS Nano, Vol. 8, Núm. 2, pp. 1375-1383

  8. Theoretical electron energy loss spectroscopy of isolated graphene

    Physica Status Solidi (B) Basic Research, Vol. 251, Núm. 12, pp. 2509-2514

  9. Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 90, Núm. 3