The Journal of Physical Chemistry. A: Molecules, Spectroscopy, Kinetics, Environment, & General Theory, 1089-5639

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  1. Theoretical Study of the Charge Transfer Exciton Binding Energy in Semiconductor Materials for Polymer: Fullerene-Based Bulk Heterojunction Solar Cells

    Izquierdo, M. A., Broer, R. & Havenith, R. W. A., 14-Feb-2019, In : Journal of Physical Chemistry A. 123, 6, p. 1233-1242 10 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  2. Unraveling the Thermal Isomerization Mechanisms of Heteroaryl Azoswitches: Phenylazoindoles as Case Study

    Crespi, S., Simeth, N. A., Bellisario, A., Fagnoni, M. & Koenig, B., 7-Mar-2019, In : Journal of Physical Chemistry A. 123, 9, p. 1814-1823 10 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  3. Theoretical Study of the Light-Induced Spin Crossover Mechanism in [Fe(mtz)(6)](2+) and [Fe(phen)(3)](2+)

    Sousa, C., de Graaf, C., Rudavskyi, A. & Broer, R., 28-Dec-2017, In : Journal of Physical Chemistry A. 121, 51, p. 9720-9727 8 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  4. Influence of the Conjugation Length on the Optical Spectra of Single Ladder-Type (p-Phenylene) Dimers and Polymers

    Baderschneider, S., Scherf, U., Koehler, J. & Hildner, R., 21-Jan-2016, In : Journal of Physical Chemistry A. 120, 2, p. 233-240 8 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  5. Molecular dynamics simulations of laser-induced incandescence of soot using an extended ReaxFF reactive force field

    Kamat, A. M., Van Duin, A. C. T. & Yakovlev, A., 9-Dec-2010, In : Journal of Physical Chemistry A. 114, 48, p. 12561-12572 12 p.

    Research output: Contribution to journalArticleAcademicpeer-review

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