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	Derechos	Fecha Public.	Título	Autor(es)	Tipo
1	closedAccess	2011	Path integral Monte Carlo studies of the H5 +/D 5 + clusters using ab initio potential surfaces	Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	artículo
2	openAccess	2012	Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H 7 + cluster	Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Wang, Yimin; Bowman, Joel M.	artículo
3	closedAccess	28-may-2014	Energetics and solvation structure of a dihalogen dopant (I2) in 4He clusters	Pérez de Tudela, Ricardo CSIC ORCID; Barragán, Patricia CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID	artículo
4	closedAccess	2012	Theoretical simulations of the vibrational predissociation spectra of H 5 +and D 5 +clusters	Valdés, Álvaro CSIC ORCID; Barragán, Patricia CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	artículo
5	closedAccess	2011	Global potential energy surface for the ground electronic state of H 3 +: A DFT approach	Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	artículo
6	openAccess	2011	Infrared spectrum of H5 + and D5 +: The simplest shared-proton model	Sanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Barragán, Patricia CSIC ORCID; Aguado, Alfredo CSIC ORCID	artículo
7	openAccess	11-jul-2013	Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 K properties of H 7 + / D 7 + clusters using an ab initio potential energy surface	Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Qu, Chen; Prosmiti, Rita CSIC ORCID; Bowman, Joel M.	artículo
8	openAccess	14-jul-2010	A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional form	Aguado, Alfredo CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID	artículo
9	openAccess	2012	Direct PIMC simulations of H5+/D5+ clusters: thermal equilibrium state properties.	Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	artículo
10	openAccess	2-ago-2010	Toward a realistic density functional theory potential energy surface for the H5+ cluster	Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	artículo
11	openAccess	29-jun-2010	Path Integral Monte Carlo calculations on atomic clusters	Pérez de Tudela, Ricardo CSIC ORCID; Márquez-Mijares, Maykel CSIC; Barragán, Patricia CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	comunicación de congreso
12	closedAccess	2013	A DFT based potential energy surface for the H7+ cluster	Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID	artículo
13	openAccess	13-feb-2013	Full-dimensional ab initio potential energy surface and dynamics for the H+ 7 cluster	Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Prosmiti, Rita CSIC ORCID; Wang, Y.; Qu, C.; Bowman, Joel M.	comunicación de congreso
14	closedAccess	10-jul-2011	Direct PIMC dynamics simulations of H_5^+/D_5^+ clusters	Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	póster de congreso
15	closedAccess	5-jul-2011	Direct Path-Integral Monte-Carlo simulations of H_5^+/D_5^+ clusters	Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	póster de congreso
16	closedAccess	2011	Internal proton transfer and H2 rotations in the H 5 + cluster: A marked influence on its thermal equilibrium state	Pérez de Tudela, Ricardo CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	artículo
17	openAccess	2014	Vibrational ground state properties of the H+7 /D+7 clusters.	Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Qu, Chen; Wang, Y.; Bowman, Joel M.	artículo
18	closedAccess	17-jul-2011	Theoretical study of small H_{2n+1}^+ clusters: potential surfaces and direct dynamics simulations	Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	póster de congreso
19	closedAccess	4-jul-2010	A global potential surface for H+3 from DFT calculations	Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	póster de congreso
20	closedAccess	4-jul-2010	Ab initio PIMC/CMC calculations: Quantum and thermal effects in H+5 cluster	Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	póster de congreso
21	closedAccess	27-jul-2011	Path-Integral Monte-Carlo simulations of H_5^+/D_5^+ clusters: thermal equilibrium state properties	Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID	póster de congreso