Authors: Garcia, Ernesto; Zanchet, Alexandre; Aoiz, F. Javier
Contribution: Article
Journal: CHEMICAL PHYSICS LETTERS
Publication date: 2021/05/16
Neural network potential energy surface for the low temperature ring polymer molecular dynamics of the H2CO + OH reaction
Authors: del Mazo-Sevillano, Pablo; Aguado, Alfredo; Roncero, Octavio
Contribution: Article
Journal: JOURNAL OF CHEMICAL PHYSICS
Publication date: 2021/03/07
DOI: 10.1063/5.0044009
Near-resonant effects in the quantum dynamics of the H+H2+->H2+H+ charge transfer reaction and isotopic variants
Authors: Sanz-Sanz, Cristina; Aguado, Alfredo; Roncero, Octavio
Contribution: Article
Journal: JOURNAL OF CHEMICAL PHYSICS
Publication date: 2021/03/14
DOI: 10.1063/5.0044320
Multi- and single-reference methods for the analysis of multi-state peroxidation of enolates
Authors: Ortega, P.; Gil-Guerrero, S.; Veselinova, A.; Zanchet, A.; Gonzalez-Sanchez, L.; Jambrina, P. G.; Sanz-Sanz, C.
Contribution: Article
Journal: JOURNAL OF CHEMICAL PHYSICS
Publication date: 2021/04/14
DOI: 10.1063/5.0046906
Exciton-Trion Conversion Dynamics in a Single Molecule
Authors: Dolezal, Jiri; Canola, Sofia; Merino, Pablo; Svec, Martin
Contribution: Article
Journal: ACS NANO
Publication date: 2021/04/27
Multi- and single-reference methods for the analysis of multi-state peroxidation of enolates
Authors: Ortega, P.; Gil-Guerrero, S.; Veselinova, A.; Zanchet, A.; Gonzalez-Sanchez, L.; Jambrina, P. G.; Sanz-Sanz, C.
Contribution: Article
Journal: JOURNAL OF CHEMICAL PHYSICS
Publication date: 2021/04/14
DOI: 10.1063/5.0046906
Possible Formation and Destruction of the OD+ Ions in the Interstellar Medium
Authors: Bulut, Niyazi; Roncero, Octavio; Lique, Francois
Contribution: Article
Journal: JOURNAL OF PHYSICAL CHEMISTRY A
Publication date: 2020/08/13
Non-adiabatic quantum dynamics of the electronic quenching OH(A(2)sigma(+)) + Kr
Authors: Gamallo, Pablo; Zanchet, Alexandre; Aoiz, F. Javier; Petrongolo, Carlo
Contribution: Article
Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publication date: 2020/08/14
DOI: 10.1039/d0cp02512g
DpgC-Catalyzed Peroxidation of 3,5-Dihydroxyphenylacetyl-CoA (DPA-CoA): Insights into the Spin-Forbidden Transition and Charge Transfer Mechanisms**
Authors: Ortega, Pablo; Zanchet, Alexandre; Sanz-Sanz, Cristina; Gomez-Carrasco, Susana; Gonzalez-Sanchez, Lola; Jambrina, Pablo G.
Contribution: Article; Early Access
Journal: CHEMISTRY-A EUROPEAN JOURNAL
Publication date: 2020/09/26
Site-specific hydrogen-atom elimination in photoexcited alkyl radicals
Authors: Chicharro, David, V; Zanchet, Alexandre; Bouallagui, Aymen; Rubio-Lago, Luis; Garcia-Vela, Alberto; Banares, Luis; Marggi Poullain, Sonia
Contribution: Article
Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publication date: 2021/01/21
DOI: 10.1039/d0cp05410k