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Rocío Sánchez-de-Armas
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Coumarin derivatives for dye sensitized solar cells: a TD-DFT study
R Sánchez-de-Armas, MA San Miguel, J Oviedo, JF Sanz
Physical Chemistry Chemical Physics 14 (1), 225-233, 2012
2322012
Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters
R Sánchez-de-Armas, J Oviedo Lopez, M A. San-Miguel, JF Sanz, ...
Journal of Chemical Theory and Computation 6 (9), 2856-2865, 2010
1962010
Direct vs indirect mechanisms for electron injection in dye-sensitized solar cells
R Sánchez-de-Armas, J Oviedo, MÁ San Miguel, JF Sanz
The Journal of Physical Chemistry C 115 (22), 11293-11301, 2011
1422011
Methanol Adsorption and Dissociation on TiO2(110) from First Principles Calculations
RS De Armas, J Oviedo, MA San Miguel, JF Sanz
The Journal of Physical Chemistry C 111 (27), 10023-10028, 2007
1232007
Electronic structure and optical spectra of catechol on TiO 2 nanoparticles from real time TD-DFT simulations
R Sánchez-de-Armas, MA San-Miguel, J Oviedo, A Márquez, JF Sanz
Physical Chemistry Chemical Physics 13 (4), 1506-1514, 2011
1142011
Methanol and Water Dissociation on TiO2 (110): The Role of Surface Oxygen
J Oviedo, R Sánchez-de-Armas, MA San Miguel, JF Sanz
The Journal of Physical Chemistry C 112 (46), 17737-17740, 2008
992008
Spin-state-dependent electrical conductivity in single-walled carbon nanotubes encapsulating spin-crossover molecules
J Villalva, A Develioglu, N Montenegro-Pohlhammer, ...
Nature communications 12 (1), 1578, 2021
632021
Direct vs. indirect mechanisms for electron injection in DSSC: Catechol and alizarin
R Sánchez-de-Armas, MA San-Miguel, J Oviedo, JF Sanz
Computational and Theoretical Chemistry 975 (1-3), 99-105, 2011
542011
Molecular modification of coumarin dyes for more efficient dye sensitized solar cells
R Sánchez-de-Armas, MA San-Miguel, J Oviedo, JF Sanz
The Journal of chemical physics 136 (19), 2012
442012
π-Complexation for olefin/paraffin separation using aluminosilicates
A Luna-Triguero, A Sławek, R Sánchez-de-Armas, JJ Gutiérrez-Sevillano, ...
Chemical Engineering Journal 380, 122482, 2020
382020
One site is enough: a theoretical investigation of iron-catalyzed dehydrogenation of formic Acid.
R Sánchez‐de‐Armas, L Xue, MSG Ahlquist
Chemistry-A European Journal 19 (36), 2013
372013
Improving olefin purification using metal organic frameworks with open metal sites
A Luna-Triguero, JM Vicent-Luna, A Poursaeidesfahani, TJH Vlugt, ...
ACS applied materials & interfaces 10 (19), 16911-16917, 2018
342018
Bicarbonate hydrogenation catalyzed by iron: how the choice of solvent can reverse the reaction
R Marcos, L Xue, R Sanchez-de-Armas, MSG Ahlquist
ACS Catalysis 6 (5), 2923-2929, 2016
332016
Exploiting the π-bonding for the separation of benzene and cyclohexane in zeolites
C González-Galán, A Luna-Triguero, JM Vicent-Luna, AP Zaderenko, ...
Chemical Engineering Journal 398, 125678, 2020
312020
On the nature of hydrogen bonds to platinum (II)–which interaction can predict their strength?
R Sánchez-de-Armas, MSG Ahlquist
Physical Chemistry Chemical Physics 17 (2), 812-816, 2015
292015
Spin-crossover complexes in nanoscale devices: main ingredients of the molecule–substrate interactions
R Sánchez-de-Armas, N Montenegro-Pohlhammer, A Develioglu, ...
Nanoscale 13 (44), 18702-18713, 2021
172021
Deposition of the Spin Crossover FeII–Pyrazolylborate Complex on Au(111) Surface at the Molecular Level
N Montenegro‐Pohlhammer, R Sánchez‐de‐Armas, CJ Calzado
Chemistry–A European Journal 27 (2), 712-723, 2021
152021
Transient sub-nanosecond soft X-ray NEXAFS spectroscopy on organic thin films
A Jonas, K Dammer, H Stiel, B Kanngiesser, R Sánchez-de-Armas, ...
Analytical Chemistry 92 (23), 15611-15615, 2020
142020
Real-Time Study of CVD Growth of Silicon Oxide on Rutile TiO2(110) Using Tetraethyl Orthosilicate
S Chaudhary, AR Head, R Sánchez-de-Armas, H Tissot, G Olivieri, ...
The Journal of Physical Chemistry C 119 (33), 19149-19161, 2015
142015
On the electronic structure of Cu chlorophyllin and its breakdown products: a carbon K-Edge X-ray absorption spectroscopy study
K Witte, I Mantouvalou, R Sánchez-de-Armas, H Lokstein, ...
The Journal of Physical Chemistry B 122 (6), 1846-1851, 2018
132018
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Articles 1–20