Patricia Barragan Ruiz de Castellano
AuthID: R-00H-262
1
TITLE: Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 K properties of ${\rm H}_{7}^{+}$H7+/${\rm D}_{7}^{+}$D7+ clusters using an ab initio potential energy surface
AUTHORS: Patricia Barragán; Ricardo Pérez de Tudela; Chen Qu; Rita Prosmiti; Joel M Bowman;
PUBLISHED: 2013, SOURCE: The Journal of Chemical Physics, VOLUME: 139, ISSUE: 2
AUTHORS: Patricia Barragán; Ricardo Pérez de Tudela; Chen Qu; Rita Prosmiti; Joel M Bowman;
PUBLISHED: 2013, SOURCE: The Journal of Chemical Physics, VOLUME: 139, ISSUE: 2
2
TITLE: Direct path-integral Monte-Carlo simulations of H+5/D +5 clusters: Thermal equilibrium state properties Full Text
AUTHORS: Prosmiti, R; Barragan, P; Perez De Tudela, R; Villarreal, P; Delgado Barrio, G;
PUBLISHED: 2012, SOURCE: 27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011 in Journal of Physics: Conference Series, VOLUME: 388, ISSUE: PART 12
AUTHORS: Prosmiti, R; Barragan, P; Perez De Tudela, R; Villarreal, P; Delgado Barrio, G;
PUBLISHED: 2012, SOURCE: 27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011 in Journal of Physics: Conference Series, VOLUME: 388, ISSUE: PART 12
3
TITLE: Study of low energy ion-atom collisions using a magneto-optical trap Full Text
AUTHORS: Leredde, A; Barragan, P; Cassimi, A; Flechard, X; Hennecart, D; Jouin, H; Pons, B;
PUBLISHED: 2012, SOURCE: 27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011 in Journal of Physics: Conference Series, VOLUME: 388, ISSUE: PART 8
AUTHORS: Leredde, A; Barragan, P; Cassimi, A; Flechard, X; Hennecart, D; Jouin, H; Pons, B;
PUBLISHED: 2012, SOURCE: 27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011 in Journal of Physics: Conference Series, VOLUME: 388, ISSUE: PART 8
4
TITLE: Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters Full Text
AUTHORS: Alvaro Valdés; Patricia Barragán; Cristina Sanz-Sanz; Rita Prosmiti; Pablo Villarreal; Gerardo Delgado-Barrio;
PUBLISHED: 2012, SOURCE: Theor Chem Acc - Theoretical Chemistry Accounts, VOLUME: 131, ISSUE: 4
AUTHORS: Alvaro Valdés; Patricia Barragán; Cristina Sanz-Sanz; Rita Prosmiti; Pablo Villarreal; Gerardo Delgado-Barrio;
PUBLISHED: 2012, SOURCE: Theor Chem Acc - Theoretical Chemistry Accounts, VOLUME: 131, ISSUE: 4
5
TITLE: A theoretical characterization of multiple isomers of the He2I2 complex Full Text
AUTHORS: Álvaro Valdés; Patricia Barragán; Ricardo Pérez de Tudela; Laura Delgado-Tellez; Juan S Medina; Rita Prosmiti;
PUBLISHED: 2012, SOURCE: Chemical Physics, VOLUME: 399
AUTHORS: Álvaro Valdés; Patricia Barragán; Ricardo Pérez de Tudela; Laura Delgado-Tellez; Juan S Medina; Rita Prosmiti;
PUBLISHED: 2012, SOURCE: Chemical Physics, VOLUME: 399
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TITLE: Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H[sub 7][sup +] cluster Full Text
AUTHORS: Patricia Barragán; Rita Prosmiti; Yimin Wang; Joel M Bowman;
PUBLISHED: 2012, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 136, ISSUE: 22
AUTHORS: Patricia Barragán; Rita Prosmiti; Yimin Wang; Joel M Bowman;
PUBLISHED: 2012, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 136, ISSUE: 22
7
TITLE: A DFT‐based potential energy surface for the H cluster
AUTHORS: Patricia Barragán; Rita Prosmiti;
PUBLISHED: 2012, SOURCE: International Journal of Quantum Chemistry, VOLUME: 113, ISSUE: 5
AUTHORS: Patricia Barragán; Rita Prosmiti;
PUBLISHED: 2012, SOURCE: International Journal of Quantum Chemistry, VOLUME: 113, ISSUE: 5
8
TITLE: Internal proton transfer and H2 rotations in the H 5 + cluster: A marked influence on its thermal equilibrium state
AUTHORS: De Tudela, RP; Barragan, P; Prosmiti, R; Villarreal, P; Delgado Barrio, G;
PUBLISHED: 2011, SOURCE: Journal of Physical Chemistry A, VOLUME: 115, ISSUE: 12
AUTHORS: De Tudela, RP; Barragan, P; Prosmiti, R; Villarreal, P; Delgado Barrio, G;
PUBLISHED: 2011, SOURCE: Journal of Physical Chemistry A, VOLUME: 115, ISSUE: 12
9
TITLE: Path integral Monte Carlo studies of the H 5 + /D 5 + clusters using ab initio potential surfaces
AUTHORS: Barragán, P; Pérez de Tudela, R; Prosmiti, R; Villarreal, P; Delgado-Barrio, G;
PUBLISHED: 2011, SOURCE: Phys. Scr. - Physica Scripta, VOLUME: 84, ISSUE: 2
AUTHORS: Barragán, P; Pérez de Tudela, R; Prosmiti, R; Villarreal, P; Delgado-Barrio, G;
PUBLISHED: 2011, SOURCE: Phys. Scr. - Physica Scripta, VOLUME: 84, ISSUE: 2
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TITLE: Infrared spectrum of H 5 + and D 5 + : The simplest shared-proton model
AUTHORS: Cristina Sanz-Sanz; Octavio Roncero; Alvaro Valdés; Rita Prosmiti; Gerardo Delgado-Barrio; Pablo Villarreal; Patricia Barragán; Alfredo Aguado;
PUBLISHED: 2011, SOURCE: Phys. Rev. A - Physical Review A, VOLUME: 84, ISSUE: 6
AUTHORS: Cristina Sanz-Sanz; Octavio Roncero; Alvaro Valdés; Rita Prosmiti; Gerardo Delgado-Barrio; Pablo Villarreal; Patricia Barragán; Alfredo Aguado;
PUBLISHED: 2011, SOURCE: Phys. Rev. A - Physical Review A, VOLUME: 84, ISSUE: 6
