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| | Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| 1 | closedAccess |  | 2012 | HeI 2 interaction potential based on an interpolation scheme | Delgado Téllez, Laura; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 2 | closedAccess |  | 2012 | Theoretical investigation of the He 4Br 2 conformers | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 3 | openAccess |  | 2011 | Ab initio characterization of the Ne-I2 van der Waals complex: Intermolecular potentials and vibrational bound states | Delgado Téllez, Laura; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 4 | closedAccess |  | 2003 | Photo-predissociation of the 4He 79Br2 complex: From empirical to ab initio potential energy surfaces | Hernández, Marta I. CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Buchachenko, Alexei A.; Prosmiti, Rita CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | capítulo de libro |
| 5 | openAccess | | 2015 | Variational and Path Integral Monte Carlo calculations on Helium Clusters Doped with Metastable Anions He^*- and He_2^*- | Villarreal, Pablo CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Gianturco, Franco A. | artículo |
| 6 | closedAccess |  | 2002 | A combined classical/quantum study of the photodissociation dynamics of NeBr2(B) near the Br2(B) dissociation limit | Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Roncero, Octavio CSIC ORCID | artículo |
| 7 | 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 |
| 8 | 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 |
| 9 | openAccess |  | 13-ago-2007 | Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule | Villarreal, Pablo CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; López Durán, David; Gianturco, Franco Antonio; Jellinek, J. | artículo |
| 10 | 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 |
| 11 | 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 |
| 12 | openAccess |  | 2011 | Full-dimensional multi configuration time dependent Hartree calculations of the ground and vibrationally excited states of He2,3Br2 clusters | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 13 | openAccess |  | 29-jun-2007 | Ab initio vibrational predissociation dynamics of He-I2(B) complex | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Lemoine, Didier; Lepetit, Bruno | artículo |
| 14 | 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 |
| 15 | closedAccess |  | 2006 | Structure and dynamics of van der Waals complexes: From triatomic to medium size clusters | Delgado Barrio, Gerardo CSIC ORCID ; López-Durán, David CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; González-Lezana, Tomás CSIC ORCID ; Villarreal, Pablo CSIC ORCID | capítulo de libro |
| 16 | closedAccess |  | 17-jul-2011 | Calculations of the viscosities of liquid water by molecular sumulations with polarizable intearction potentials | Fanourgakis, George S. CSIC; Medina, J. S. CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
| 17 | closedAccess | | 18-jun-2007 | Doped helium clusters analyzed through quantum chemistry methods | Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; López Durán, David; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Gianturco, Franco Antonio; Jellinek, J. | artículo |
| 18 | openAccess |  | 22-jul-2015 | Variational and Path Integral Monte Carlo calculations on Helium Clusters Doped with Metastable Anions He*- and He2*- | Villarreal, Pablo CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Gianturco, Franco A. | póster de congreso |
| 19 | closedAccess |  | 4-jul-2010 | Quantum solvent states of (4He)N-Cs2(3 Sigma_u^+), 2 < N < 12 | López Durán, David; Pérez de Tudela, Ricardo CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID | póster de congreso |
| 20 | openAccess |  | 8-jul-2014 | Stability of rare gas{water clusters under pressure: the Ar and Kr case | Vítek, A.; Arismendi-Arrieta, D.J. CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
| 21 | 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 |
| 22 | openAccess |  | ene-2006 | An overview on potential energy surfaces of rare-gas dihalogen van der Waals clusters | Delgado Barrio, Gerardo CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID; Villarreal, Pablo CSIC ORCID | artículo |
| 23 | 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 |
| 24 | openAccess |  | 2011 | Theoretical characterization of intermolecular vibrational states through the multi-configuration time dependent Hartree approach: The He 2,3ICl clusters | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 25 | 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 |
| 26 | closedAccess |  | 5-jul-2011 | Calculations of the viscosities of pure liquid water by molecular dynamics sumulations | Fanourgakis, George S. CSIC; Medina, J. S. CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
| 27 | openAccess |  | 30-oct-2015 | Quantum features of anionic species He*− and He2*− in small HeN clusters | Villarreal, Pablo CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Gianturco, Franco A. | artículo |
| 28 | openAccess |  | 15-mar-2016 | Structure and spectroscopy of helium nanodroplets doped with molecular impurities at low temperatures | Villarreal, Pablo CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | comunicación de congreso |
| 29 | openAccess |  | 15-oct-2002 | The van der Waals potential energy surfaces and structures of He–ICl and Ne–ICl clusters | Prosmiti, Rita CSIC ORCID; Cunha, Carlos; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 30 | openAccess |  | 14-feb-2017 | Atomic Cluster Collisions: ISACC 2015 | Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Solov'yov, A. V. | artículo |
| 31 | openAccess |  | 2020 | Modelling interactions of alkali-cation dimers in He clusters | Alharzali, N.; Berriche, H.; Villarreal, Pablo CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| 32 | embargoedAccess |  | 1-jun-2023 | Computational molecular dynamics simulations of cationic alkali dimers solvated in He clusters: the Li 2+ case | Yanes-Rodríguez, Raquel CSIC ORCID; Rodríguez-Segundo, R. CSIC; Villarreal, Pablo CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| 33 | openAccess |  | 5-ene-2005 | Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complex | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 34 | openAccess | | 2012 | A quantum chemistry approach to energies, structures, and spectroscopy of doped helium clusters | Pérez de Tudela, Ricardo CSIC ORCID; López Durán, David; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Gainturco, F.A.; Jellinek, J.; Villarreal, Pablo CSIC ORCID | artículo |
| 35 | openAccess |  | 8-dic-2002 | Vibrational predissociation of NeBr2 (X, v = 1) using an ab initio potential energy surface | Prosmiti, Rita CSIC ORCID; Cunha, Carlos; Buchachenko, Alexei A.; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | artículo |
| 36 | openAccess | | 2015 | Structural changes in water and Ar-water clusters under high pressure | Prosmiti, Rita CSIC ORCID; Vítek, A.; Arismendi-Arrieta, D.J. CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; Villarreal, Pablo CSIC ORCID; Kalus, R.; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 37 | closedAccess |  | 23-feb-2015 | Computational investigations of the thermodynamic properties of size-selected water and Ar-water clusters: high-pressure transitions | Vítek, Aleš; Arismendi-Arrieta, D.J. CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 38 | openAccess |  | 22-may-2007 | Ab initio potential energy surface and spectrum of the B(3Π) state of the HeI2 complex | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Werner, Hans-Joachim | artículo |
| 39 | openAccess | | 12-may-2016 | He Clusters Doped with Metastable Anions He*- and He2*- | Villarreal, Pablo CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Gianturco, Franco A. | comunicación de congreso |
| 40 | closedAccess |  | 5-jul-2011 | Ab initio Cheracterization of NeI2 vdW complex | Delgado Téllez, Laura; Prosmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
| 41 | openAccess |  | 9-may-2007 | Exact and quantum chemistry-like calculations in helium doped clusters: The He2Br2(X) example | Roncero, Octavio CSIC ORCID ; Pérez de Tudela, Ricardo CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | artículo |
| 42 | 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 |
| 63 | openAccess |  | 23-ago-2019 | Theoretical Study of Cationic Alkali Dimers Interacting with He: Li2 +-He and Na2 +-He van der Waals Complexes | Alharzali, N.; Berriche, H.; Villarreal, Pablo CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| 44 | 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 |
| 45 | closedAccess |  | 2007 | Additive intermolecular potentials from ab initio calculations: Trends in Rg2-dihalogen van der Waals trimers | Diez-Pardos, Carmen; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 46 | 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 |
| 47 | 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 |
| 48 | openAccess |  | 22-ago-2003 | CCSD(T) intermolecular potential between He atom and CIF molecule: Comparison with experiment | Prosmiti, Rita CSIC ORCID; Cunha, Carlos; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| 49 | openAccess |  | 28-nov-2006 | Polar di-halogen molecules solvated in bosonic helium clusters: The paradigm of ICl(X) | Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; López Durán, David; Villarreal, Pablo CSIC ORCID; Gianturco, Franco Antonio; Jellinek, J. | artículo |
| 50 | closedAccess |  | 2011 | Molecular dynamics simulations of rigid and flexible water models: Temperature dependence of viscosity | Medina, J. S. CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Winter, G.; González, B.; Alemán, J. V.; Collado, C. | artículo |
