Publicaciones en las que colabora con MARIUS CONNY WANKO (15)

2017

  1. Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne

    Physical Review Materials, Vol. 1, Núm. 7

2016

  1. Confined linear carbon chains as a route to bulk carbyne

    Nature Materials, Vol. 15, Núm. 6, pp. 634-639

  2. Polyyne electronic and vibrational properties under environmental interactions

    Physical Review B, Vol. 94, Núm. 19

2015

  1. Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?

    Journal of Physical Chemistry A, Vol. 119, Núm. 47, pp. 11498-11503

2014

  1. Cross-conjugation vs. linear conjugation in donor-bridge-acceptor nitrophenol chromophores

    European Journal of Organic Chemistry, Vol. 2014, Núm. 10, pp. 2044-2052

2013

  1. On the effect of a single solvent molecule on the charge-transfer band of a donor-acceptor anion

    Journal of the American Chemical Society, Vol. 135, Núm. 18, pp. 6818-6821

  2. Solvent-mediated folding of dicarboxylate dianions: Aliphatic chain length dependence and origin of the IR intensity quenching

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 47, pp. 20463-20472

  3. Theoretical Methods

    PHOTOPHYSICS OF IONIC BIOCHROMOPHORES (SPRINGER-VERLAG BERLIN), pp. 45-65

2012

  1. Building a model of the blue cone pigment based on the wild type rhodopsin structure with QM/MM methods

    Journal of Physical Chemistry B, Vol. 116, Núm. 10, pp. 3313-3321

  2. Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi-empirical methods

    Physica Status Solidi (B) Basic Research, Vol. 249, Núm. 2, pp. 392-400

  3. Substitution effects on the absorption spectra of nitrophenolate isomers

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 37, pp. 12905-12911

2011

  1. Spectroscopic characterization of solvent-mediated folding in dicarboxylate dianions

    Angewandte Chemie - International Edition, Vol. 50, Núm. 16, pp. 3807-3810

2010

  1. Double-bond versus triple-bond bridges: Does it matter for the charge-transfer absorption by donor-acceptor chromophores?

    ChemPhysChem, Vol. 11, Núm. 12, pp. 2495-2498

  2. The protonation state of Glu181 in rhodopsin revisited: Interpretation of experimental data on the basis of QM/MM calculations

    Journal of Physical Chemistry B, Vol. 114, Núm. 34, pp. 11338-11352

2009

  1. Absorption spectra of 4-nitrophenolate Ions measured in vacuo and in solution

    ChemPhysChem, Vol. 10, Núm. 8, pp. 1207-1209