Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations
Author:
Affiliation:
1. Department of Chemistry, Technical University of Denmark, Kemitorvet 207, DK-2800 Kongens Lyngby, Denmark
2. Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest, Hungary
Funder
FP7 People: Marie-Curie Actions
Det Frie Forskningsr?d
Villum Fonden
Ranns?knasj??ur
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b00301
Reference105 articles.
1. Lecture Notes in Chemistry;Bergamini G.,2016
2. Topics in Current Chemistry;Balzani V.,2007
3. Artificial Photosynthesis: From Molecular Catalysts for Light-driven Water Splitting to Photoelectrochemical Cells
4. Dye-sensitized solar cells: A brief overview
5. Sundstrom, V. Biophotonics: Spectroscopy, Imaging, Sensing, and Manipulation; NATO Science for Peace and Security Series B: Physics and Biophysics; Springer: Netherlands, 2011; pp 219–236.
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