Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene‐Hopene Cyclases
Ludwig, Julian, Curado‐Carballada, Christian, Hammer, Stephan C., Schneider, Andreas, Diether, Svenja, Kress, Nico, Ruiz‐Barragán, Sergi, Osuna, Sílvia, Hauer, Bernhard
Published in Angewandte Chemie International Edition (18.03.2024)
Published in Angewandte Chemie International Edition (18.03.2024)
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Journal Article
Refined metadynamics through canonical sampling using time‐invariant bias potential: A study of polyalcohol dehydration in hot acidic solutions
Kondo, Tomomi, Sasaki, Takehiko, Ruiz‐Barragan, Sergi, Ribas‐Ariño, Jordi, Shiga, Motoyuki
Published in Journal of computational chemistry (30.01.2021)
Published in Journal of computational chemistry (30.01.2021)
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Journal Article
Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole
Peng, Xing-Liang, Ruiz-Barragan, Sergi, Li, Ze-Sheng, Li, Quan-Song, Blancafort, Lluís
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2016)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2016)
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Journal Article
On the hierarchical parallelization of ab initio simulations
Ruiz-Barragan, Sergi, Ishimura, Kazuya, Shiga, Motoyuki
Published in Chemical physics letters (16.02.2016)
Published in Chemical physics letters (16.02.2016)
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Journal Article
The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine
Trachsel, Maria A, Wiedmer, Timo, Blaser, Susan, Frey, Hans-Martin, Li, Quansong, Ruiz-Barragan, Sergi, Blancafort, Lluís, Leutwyler, Samuel
Published in The Journal of chemical physics (07.10.2016)
Published in The Journal of chemical physics (07.10.2016)
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Journal Article
The reaction mechanism of polyalcohol dehydration in hot pressurized water
Ruiz-Barragan, Sergi, Ribas Ariño, Jordi, Shiga, Motoyuki
Published in Physical chemistry chemical physics : PCCP (01.01.2016)
Published in Physical chemistry chemical physics : PCCP (01.01.2016)
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Journal Article
Anisotropic pressure effects on nanoconfined water within narrow graphene slit pores
Ruiz-Barragan, Sergi, Forbert, Harald, Marx, Dominik
Published in Physical chemistry chemical physics : PCCP (25.10.2023)
Published in Physical chemistry chemical physics : PCCP (25.10.2023)
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Journal Article
C–H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C–H Bonds
Palone, Andrea, Casadevall, Guillem, Ruiz-Barragan, Sergi, Call, Arnau, Osuna, Sílvia, Bietti, Massimo, Costas, Miquel
Published in Journal of the American Chemical Society (26.07.2023)
Published in Journal of the American Chemical Society (26.07.2023)
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Journal Article
Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene‐Hopene Cyclases
Ludwig, Julian, Curado‐Carballada, Christian, Hammer, Stephan C., Schneider, Andreas, Diether, Svenja, Kress, Nico, Ruiz‐Barragán, Sergi, Osuna, Sílvia, Hauer, Bernhard
Published in Angewandte Chemie (18.03.2024)
Published in Angewandte Chemie (18.03.2024)
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Journal Article
Nanoconfinement effects on water in narrow graphene-based slit pores as revealed by THz spectroscopy
Ruiz-Barragan, Sergi, Sebastiani, Federico, Schienbein, Philipp, Abraham, Jijo, Schwaab, Gerhard, Nair, Rahul R, Havenith, Martina, Marx, Dominik
Published in Physical chemistry chemical physics : PCCP (19.10.2022)
Published in Physical chemistry chemical physics : PCCP (19.10.2022)
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Journal Article
A screened automated structural search with semiempirical methods
Ota, Yukihiro, Ruiz-Barragan, Sergi, Machida, Masahiko, Shiga, Motoyuki
Published in Chemical physics letters (16.03.2016)
Published in Chemical physics letters (16.03.2016)
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Journal Article
A screened automated structural search with semiempirical methods
Ota, Yukihiro, Ruiz-Barragan, Sergi, Machida, Masahiko, Shiga, Motoyuki
Published in arXiv.org (09.02.2016)
Published in arXiv.org (09.02.2016)
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