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Sergi Ruiz-Barragan
Sergi Ruiz-Barragan
Bestätigte E-Mail-Adresse bei theochem.ruhr-uni-bochum.de - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole
XL Peng, S Ruiz-Barragan, ZS Li, QS Li, L Blancafort
Journal of Materials Chemistry C 4 (14), 2802-2810, 2016
1192016
Nanoconfined water within graphene slit pores adopts distinct confinement-dependent regimes
S Ruiz-Barragan, D Munoz-Santiburcio, D Marx
The journal of physical chemistry letters 10 (3), 329-334, 2018
392018
Conical intersection optimization using composed steps inside the ONIOM (QM: MM) scheme: CASSCF: UFF implementation with microiterations
S Ruiz-Barragan, K Morokuma, L Blancafort
Journal of Chemical Theory and Computation 11 (4), 1585-1594, 2015
302015
Conical intersection optimization based on a double Newton–Raphson algorithm using composed steps
S Ruiz-Barragan, MA Robb, L Blancafort
Journal of chemical theory and computation 9 (3), 1433-1442, 2013
202013
Photophysics of fulvene under the non-resonant stark effect. Shaping the conical intersection seam
S Ruiz-Barragan, L Blancafort
Faraday Discussions 163, 497-512, 2013
162013
Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores
S Ruiz-Barragan, D Muñoz-Santiburcio, S Körning, D Marx
Physical Chemistry Chemical Physics 22 (19), 10833-10837, 2020
152020
The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine
MA Trachsel, T Wiedmer, S Blaser, HM Frey, Q Li, S Ruiz-Barragan, ...
The Journal of Chemical Physics 145 (13), 134307, 2016
132016
On the hierarchical parallelization of ab initio simulations
S Ruiz-Barragan, K Ishimura, M Shiga
Chemical Physics Letters 646, 130-135, 2016
132016
The reaction mechanism of polyalcohol dehydration in hot pressurized water
S Ruiz-Barragan, JR Ariño, M Shiga
Physical Chemistry Chemical Physics 18 (47), 32438-32447, 2016
92016
A screened automated structural search with semiempirical methods
Y Ota, S Ruiz-Barragan, M Machida, M Shiga
Chemical Physics Letters 648, 119-123, 2016
52016
Refined metadynamics through canonical sampling using time‐invariant bias potential: A study of polyalcohol dehydration in hot acidic solutions
T Kondo, T Sasaki, S Ruiz‐Barragan, J Ribas‐Ariño, M Shiga
Journal of Computational Chemistry 42 (3), 156-165, 2021
42021
Modelling of potential energy surfaces for photochemistry: conical intersections and application to optical control
S Ruiz-Barragán
Universitat de Girona, 2014
2014
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