Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approaches (English)
- New search for: de Lara-Castells, María Pilar
- New search for: Aguirre, Néstor F.
- New search for: Mitrushchenkov, Alexander O.
- New search for: de Lara-Castells, María Pilar
- New search for: Aguirre, Néstor F.
- New search for: Mitrushchenkov, Alexander O.
In:
Chemical Physics
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399
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272-280
;
2011
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approaches
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Contributors:de Lara-Castells, María Pilar ( author ) / Aguirre, Néstor F. ( author ) / Mitrushchenkov, Alexander O. ( author )
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Published in:Chemical Physics ; 399 ; 272-280
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2011-01-01
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Size:9 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 399
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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New trends in atomic and molecular clusters (in honour of Gerardo Delgado-Barrio)Villarreal, Pablo / Miret-Artés, Salvador / Roncero, Octavio / Campos-Martínez, José et al. | 2011
- 4
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Structure and dynamics of noble gas-halogen and noble gas ionic clusters: When theory meets experimentBeswick, J.A. / Halberstadt, N. / Janda, K.C. et al. | 2011
- 17
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Can water be a catalyst on the HO2 +H2O+O3 reactive cluster?Viegas, Luís P. / Varandas, António J.C. et al. | 2011
- 23
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Theoretical study of the XP3 (X=Al, B, Ga) clustersUeno, Leonardo T. / Lopes, Cinara / Malaspina, Thaciana / Roberto-Neto, Orlando / Canuto, Sylvio / Machado, Francisco B.C. et al. | 2011
- 28
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Intermolecular potential and rovibrational states of the H2O–D2 complexvan der Avoird, Ad / Scribano, Yohann / Faure, Alexandre / Weida, Miles J. / Fair, Joanna R. / Nesbitt, David J. et al. | 2011
- 39
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A theoretical characterization of multiple isomers of the He2I2 complexValdés, Álvaro / Barragán, Patricia / de Tudela, Ricardo Pérez / Delgado-Tellez, Laura / Medina, Juan S. / Prosmiti, Rita et al. | 2011
- 46
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Structure and bonding of ScCN and ScNC: Ground and low-lying statesKalemos, Apostolos / Metropoulos, Aristophanes / Mavridis, Aristides et al. | 2011
- 50
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Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculationsSayfutyarova, Elvira R. / Buchachenko, Alexei A. / Hapka, Michal / Szczęśniak, Małgorzata M. / Chałasiński, Grzegorz et al. | 2011
- 59
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The H4 model revisited within the framework of the G-particle-hole Hypervirial equationValdemoro, Carmela / Alcoba, Diego R. / Oña, Ofelia B. / Tel, Luis M. / Pérez-Romero, Encarnación / Oliva, Josep M. et al. | 2011
- 65
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Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole momentsDardouri, Riadh / Habli, Héla / Oujia, Brahim / Gadéa, Florent Xavier et al. | 2011
- 80
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Properties of the molecular oxygen trimer from pairwise additive interactionsHernández-Lamoneda, Ramón / Pérez-Ríos, Jesús / Carmona-Novillo, Estela / Bartolomei, Massimiliano / Campos-Martínez, José / Hernández, Marta I. et al. | 2011
- 86
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A theoretical study on electronic predissociation in the NeBr2 van der Waals moleculeHernández-Lamoneda, Ramón / Sanz-Sanz, Cristina / Roncero, Octavio / Pio, Jordan M. / Taylor, Molly A. / Janda, Kenneth C. et al. | 2011
- 94
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Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianionsEhara, Masahiro / Piecuch, Piotr / Lutz, Jesse J. / Gour, Jeffrey R. et al. | 2011
- 111
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Clusters of exceptional points for a laser control of selective vibrational transferLefebvre, R. / Jaouadi, A. / Atabek, O. et al. | 2011
- 117
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Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals clusterArbelo-González, W. / Bonnet, L. / Larrégaray, P. / Rayez, J.-C. / Rubayo-Soneira, J. et al. | 2011
- 122
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Optical population of gerade and ungerade iodine ion-pair states via MI2 vdW complexes of valence states correlating with the third dissociation limit, M=I2, XeLukashov, S.S. / Poretsky, S.A. / Pravilov, A.M. et al. | 2011
- 130
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Scattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theoryCastro, A. / Isla, M. / Martínez, José I. / Alonso, J.A. et al. | 2011
- 135
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First-order corrections to semiclassical Gaussian partition functions for clusters of atomsCartarius, Holger / Pollak, Eli et al. | 2011
- 142
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Photodissociation of N2O: Temperature dependenceSchinke, R. et al. | 2011
- 146
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The effect of light-induced conical intersections on the alignment of diatomic moleculesHalász, Gábor J. / Vibók, Ágnes / Šindelka, Milan / Cederbaum, Lorenz S. / Moiseyev, Nimrod et al. | 2011
- 151
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Investigating transition state resonances in the time domain by means of Bohmian mechanics: The F+HD reactionSanz, A.S. / López-Durán, D. / González-Lezana, T. et al. | 2011
- 162
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Photofragment angular momentum polarization in the photolysis of symmetric top molecules: Production, detection, and rotational depolarizationShternin, Peter S. / Suits, Arthur G. / Vasyutinskii, Oleg S. et al. | 2011
- 172
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Accurate measurement of the T-shaped and linear binding energies using vibronic-specific I2(B, ν) fragment velocity-map imagingWei, Jie et al. | 2012
- 172
-
Accurate measurement of the T-shaped and linear binding energies using vibronic-specific I2(B, ν) fragment velocity-map imagingWei, Jie / Makarem, Camille / Reinitz, Ashley L. / Darr, Joshua P. / Loomis, Richard A. et al. | 2011
- 172
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Accurate measurement of the T-shaped and linear Formula Not Shown binding energies using vibronic-specific I2(B,n) fragment velocity-map imagingWei, J. / Makarem, C. / Reinitz, A. L. / Darr, J. P. / Loomis, R. A. et al. | 2012
- 180
-
Electrostatic hexapole state-selection of the asymmetric-top molecule propylene oxide: Rotational and orientational distributionsChe, Dock-Chil / Kanda, Keita / Palazzetti, Federico / Aquilanti, Vincenzo / Kasai, Toshio et al. | 2011
- 193
-
Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)2SiNCS+ ions with fluorinated self-assembled monolayersNogueira, Juan José / Sánchez-Coronilla, Antonio / Marques, Jorge M.C. / Hase, William L. / Martínez-Núñez, Emilio / Vázquez, Saulo A. et al. | 2011
- 205
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LiH−(2Σ+) attached to small clusters of 4He: A stochastic analysisMarinetti, F. / Gianturco, F.A. et al. | 2011
- 213
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Nucleation and cavitation in parahydrogenPi, Martí / Barranco, Manuel / Navarro, Jesús / Ancilotto, Francesco et al. | 2011
- 218
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Energetics at extremes in Coulomb explosion of large finite systemsLast, Isidore / Jortner, Joshua et al. | 2011
- 224
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Protonated salicylaldehyde: Electronic propertiesAlata, Ivan / Omidyan, Reza / Broquier, Michel / Dedonder, Claude / Jouvet, Christophe et al. | 2011
- 232
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Benzene water interaction: From gaseous dimers to solvated aggregatesAlbertí, M. / Faginas Lago, N. / Pirani, F. et al. | 2011
- 240
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Water clusters confined in icosahedral fullerene cavitiesHernández-Rojas, J. / Monteseguro, V. / Bretón, J. / Gomez Llorente, J.M. et al. | 2011
- 245
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Ultrafast reorganization of the hole charge created upon outer-valence ionization of porphyrinsKuleff, Alexander I. / Lünnemann, Siegfried / Cederbaum, Lorenz S. et al. | 2011
- 252
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On the electric dipole moments of small sodium clusters from different theoretical approachesAguado, Andrés / Largo, Antonio / Vega, Andrés / Balbás, Luis Carlos et al. | 2011
- 258
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Non-linear vibrational modes in biomolecules: A periodic orbits descriptionKampanarakis, Alexandros / Farantos, Stavros C. / Daskalakis, Vangelis / Varotsis, Constantinos et al. | 2011
- 264
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Methane dissociation on Ni(111): Reaction probabilities using direct and initial state selected approachesTeixidor, Marc Moix / Huarte-Larrañaga, Fermin et al. | 2011
- 272
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Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approachesde Lara-Castells, María Pilar / Aguirre, Néstor F. / Mitrushchenkov, Alexander O. et al. | 2011
- 281
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Range effects of the Coulombic forces on structures, thermodynamic properties and potential energy landscapes: (KCl)32 and related systemsWang, Chengju / Stephen Berry, R. / Jellinek, Julius et al. | 2011
- 290
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Propensities in the solvation of M+–Benzene systems (M =Na, K, Rb) investigated by cluster dynamicsAlbertí, M. / Aguilar, A. / Pirani, F. et al. | 2011
- IFC
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IFC (Editorial Board)| 2012
- v
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Contents| 2012