Sample records for AGRUPACIONES ATOMICAS (atomic clusters)
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2

Vibrational and rotational bound states in floppy triatomic systems: The distributed Gaussian functions approach

Baccarelli, Isabella ; Gianturco, Franco Antonio ; González Lezana, Tomás ; Delgado Barrio, Gerardo ; Miret-Artés, Salvador

32 pages, 12 figures, 2 tables.-- PACS nrs.: 03.65.Ge; 21.45.-v; 21.60.Gx; 36.40.-c.-- Printed version published Oct 2007. | A variational method based on the use of bond coordinates and of a basis set expansion described by distributed Gaussian functions (DGF) is reviewed for its applications to th...

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3

Vibrational and rotational bound states in floppy triatomic systems: The distributed Gaussian functions approach

Baccarelli, Isabella; Gianturco, Franco Antonio; González Lezana, Tomás; Delgado Barrio, Gerardo; Miret-Artés, Salvador; Villarreal, Pablo
2007-07-25

Digital.CSIC (Spain)

4

Towards the “soft-landing” adsorption of doped Helium nanodroplets: key role of the He-TiO2(110) interaction

Aguirre, Néstor F.; deLara-Castells, María Pilar; Mitrushchenkov, Alexander O.
2009-09-06

Digital.CSIC (Spain)

5

Toward a realistic density functional theory potential energy surface for the H5+ cluster

Barragán, Patricia; Prosmiti, Rita; Roncero, Octavio; Aguado, Alfredo; Villarreal, Pablo; Delgado Barrio, Gerardo
2010-08-02

Digital.CSIC (Spain)

6

Topological charge selection rule for phase singularities

Zacarés, M.; Garcia-March, M.A.; Vijande, Javier; Ferrando, A.; Merino, E.
2009-10-14

Digital.CSIC (Spain)

7

The van der Waals potential energy surfaces and structures of He–ICl and Ne–ICl clusters

Prosmiti, Rita; Cunha, Carlos; Villarreal, Pablo; Delgado Barrio, Gerardo
2002-10-15

Digital.CSIC (Spain)

8

Spin-dependent effective interactions for halo nuclei

Garrido, Eduardo; Fedorov, D.V.; Jensen, A.S.
2003-07-24

Digital.CSIC (Spain)

9

Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule

Villarreal, Pablo ; Lara Castells, M. Pilar de ; Prosmiti, Rita ; Delgado Barrio, Gerardo ; López Durán, David

8 pages, 4 figures, 2 tables.-- PACS nrs.: 36.40.Mr, 31.15.Ar, 33.20.Fb, 33.80.Gj. | A recently developed quantum-chemistry-like methodology to study molecules solvated in atomic clusters is applied to the ICl (iodine chloride) polar diatomic molecule immersed in clusters of He atoms. The atoms of t...

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10

Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule

Villarreal, Pablo; Lara Castells, M. Pilar de; Prosmiti, Rita; Delgado Barrio, Gerardo; López Durán, David; Gianturco, Franco Antonio; Jellinek, J.
2007-08-13

Digital.CSIC (Spain)

12

Raman spectra of (He)N-Br2(X) clusters: The role of boson/fermion statistics in a quantum solvent

López Durán, David; Lara Castells, M. Pilar de; Delgado Barrio, Gerardo; Villarreal, Pablo; Paola, C. Di.; Gianturco, Franco Antonio; Jellinek, J.
2004-08-15

Digital.CSIC (Spain)

13

Raman Spectroscopy of Small Para-H2 Clusters Formed in Cryogenic Free Jets

Tejeda, Guzmán ; Fernández Sánchez, José María ; Montero, Salvador ; Blume, D. ; Toennies, J.P.

4 pages, 4 figures.-- PACS nrs.: 36.40.–c, 33.20.Fb, 61.46.+w. | Small para-H2 clusters (pH2)N with N=2,...,8 have been identified by Raman spectroscopy in cryogenic free jets of the pure gas, near the Q(0) Raman line of the H2 monomer. The high resolution in space, time, and number size makes it po...

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14

Raman Spectroscopy of Small Para-H2 Clusters Formed in Cryogenic Free Jets

Tejeda, Guzmán; Fernández Sánchez, José María; Montero, Salvador; Blume, D.; Toennies, J.P.
2004-06-02

Digital.CSIC (Spain)

15

Quantum solvent states and rovibrational spectra of small doped 3He clusters through the full-configuration-interaction nuclear orbital approach: The „ (3He)N–Cl2„(X) case (N<4)

Lara Castells, María Pilar de; Aguirre, Néstor F.; Villarreal, Pablo; Delgado Barrio, Gerardo; Mitrushchenkov, Alexander O.
2010-05-21

Digital.CSIC (Spain)

16

Quantum solvent states and ro-vibrational spectra of small doped

Lara Castells, Maria Pilar de; Aguirre, Nestor F.; Villarreal, Pablo; Delgado Barrio, Gerardo
2010-01-01

Digital.CSIC (Spain)

17

Potentiometric sensors based on anionic boron clusters

Stoica, Anca Lulia; Viñas, Clara; Teixidor, Francesc
2010-03-18

Digital.CSIC (Spain)

18

Potential energy surface and reactive collisions for the Au+H2 system

Zanchet, Alexander; Roncero, Octavio; Omar, Salama; Paniagua, Miguel; Aguado, Alfredo
2010-01-15

Digital.CSIC (Spain)

19

Polar di-halogen molecules solvated in bosonic helium clusters: The paradigm of ICl(X)

Lara Castells, M. Pilar de ; Prosmiti, Rita ; Delgado Barrio, Gerardo ; López Durán, David ; Villarreal, Pablo

11 pages, 6 figures, 5 tables.-- PACS nrs.: 36.40.Mr; 31.15.Ar; 33.20.Fb; 33.80.Gj. | Energies and structures of 4He(N)-ICl(X) complexes, N ≤ 30, are determined within the framework of a recently developed Hartree-like approach [Phys. Rev. A 71, 033203 (2005)], in which the He atoms play the role of...

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20

Polar di-halogen molecules solvated in bosonic helium clusters: The paradigm of ICl(X)

Lara Castells, M. Pilar de; Prosmiti, Rita; Delgado Barrio, Gerardo; López Durán, David; Villarreal, Pablo; Gianturco, Franco Antonio; Jellinek, J.
2006-11-28

Digital.CSIC (Spain)

21

Nanoparticles

Penades, Soledad; Rojo, Javier; Martín Lomas, Manuel
2010-06-15

Digital.CSIC (Spain)

22

Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructures

Zanchet, Alexander; Dorta-Urra, A.; Roncero, Octavio; Flores, F.; Tablero, C.; Paniagua, Miguel; Aguado, Alfredo
2009-01-01

Digital.CSIC (Spain)

23

Magnetic polarization of copper in Cu-capped Co clusters.

García, L. M.; Bartolomé, Fernando; Bartolomé, Juan; Luis, F.; Petroff, F.; Deranlot, C.; Wilhelm, F.; Rogalev, A.; Bencok, P.; Brookes, N. B.
2007-09-01

Digital.CSIC (Spain)

24

Langmuir monolayers of diacyl glycerol amino acid-based surfactants. Effect of the substitution pattern of the glycerol backbone

Albalat, Rosa; Claret, Josep; Ignés-Mullol, Jordi; Sagués, Francesc; Morán, María del Carmen; Pérez, Lourdes; Clapés Saborit, Pere; Pinazo Gassol, Aurora
2003-11-19

Digital.CSIC (Spain)

26

Homo- and heteropolynuclear platinum complexes stabilized by dimethylpyrazolato and alkynyl bridging ligands: Synthesis, structures, and luminescence

Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta; Lalinde, Elena; Moreno, M. Teresa
2006-07-18

Digital.CSIC (Spain)

27

Highly luminescent gold(I)-silver(I) and cold(I)-copper(I) chalcogenide clusters

Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Larraz, Carmen; Villacampa, M. Dolores
2006-12-01

Digital.CSIC (Spain)

28

Experiments on small (H2)N clusters

Montero, Salvador ; Hernández Morilla, Juan ; Tejeda, Guzmán ; Fernández Sánchez, José María

4 pages, 4 figures, 1 table.-- PACS nrs.: 36.40.-c, 33.20.Fb, 05.30.Jp. | Contributed to: ISSPIC'14 - 14th International Symposium on Small Particles and Inorganic Cluster (Valladolid, Sep 15-19, 2008). | The nucleation process of small hydrogen clusters has been studied in detail with space, time, ...

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29

Experiments on small (H2)N clusters

Montero, Salvador; Hernández Morilla, Juan; Tejeda, Guzmán; Fernández Sánchez, José María
2009-02-06

Digital.CSIC (Spain)

30

Exact, Born–Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system

Roncero, Octavio ; Lara Castells, M. Pilar de ; Delgado Barrio, Gerardo ; Villarreal, Pablo ; Stoecklin, T.

9 pages, 2 figures, 4 tables.-- PACS nrs.: 34.20.-b; 31.50.-x; 31.15.A-; 33.15.Mt; 33.20.Vq; 36.40.-c. | Helium clusters doped with diatomic molecules, He(N)–BC, have been recently studied by means of a quantum-chemistry-like approach. The model treats He atoms as “electrons” and dopants as “nuclei”...

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31

Exact, Born–Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system

Roncero, Octavio; Lara Castells, M. Pilar de; Delgado Barrio, Gerardo; Villarreal, Pablo; Stoecklin, T.; Voronin, A.; Rayez, J. C.
2008-04-29

Digital.CSIC (Spain)

32

Exact and quantum chemistry-like calculations in helium doped clusters: The He2Br2(X) example

Roncero, Octavio; Pérez de Tudela, Ricardo; Lara Castells, M. Pilar de; Prosmiti, Rita; Delgado Barrio, Gerardo; Villarreal, Pablo
2007-05-09

Digital.CSIC (Spain)

33

Enhancement of the magnetic anisotropy of Co clusters by Au capping.

Luis, F.; Bartolomé, Juan; Bartolomé, Fernando; Martínez, M. J.; García, L. M.; Petroff, F.; Deranlot, C.; Wilhelm, F.; Rogalev, A.
2006-04-26

Digital.CSIC (Spain)

34

Energetics and structure of small para-hydrogen clusters

Navarro, Jesús ; Guardiola, Rafael

5 pages, 3 figures.-- PACS nrs.: 67.40.Db; 36.40.-c; 61.46.Bc.-- ISI Article Identifier: 000248052200063 | Printed version published on Sep 2007. | Quantum diffusion Monte Carlo simulations have been performed to systematically analyze the energetics and structure of (p_H2)(N) clusters with N = 3-50...

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35
36

Electronic Structure of the Highly Reduced Polyoxoanion [PMo12O40(VO)2]5-: A DFT Study

Maestre, J. M.; Poblet, J. M.; Bo, C.; Casañ Pastor, Nieves; Gómez-Romero, P.
1998-06-05

Digital.CSIC (Spain)

37

Dynamics and potential energy surfaces for small to medium size He(n)-dihalogen clusters

Delgado Barrio, Gerardo ; Valdés, Álvaro ; López Durán, David ; Lara Castells, M. Pilar de ; Prosmiti, Rita

2 pages.-- PACS nrs.: 03.65.Ta; 34.20.Gj; 36.40.-c.-- Contributed to: Eighth International Symposium on Frontiers of Fundamental Physics (FFP8), Madrid, Spain, Oct 17-19, 2006. | The intermolecular forces between atoms and molecules are of great importance in studies of solids, liquids and clusters....

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38

Dynamics and potential energy surfaces for small to medium size He(n)-dihalogen clusters

Delgado Barrio, Gerardo; Valdés, Álvaro; López Durán, David; Lara Castells, M. Pilar de; Prosmiti, Rita; Villarreal, Pablo
2007-04-28

Digital.CSIC (Spain)

39

Doped helium clusters analyzed through quantum chemistry methods

Lara Castells, M. Pilar de; Prosmiti, Rita; López Durán, David; Delgado Barrio, Gerardo; Villarreal, Pablo; Gianturco, Franco Antonio; Jellinek, J.
2007-06-18

Digital.CSIC (Spain)

40

Domain wall dynamics: growth laws, localized structures and stable droplets

Gomila, Damià; Colet, Pere; San Miguel, Maxi; Oppo, Gian-Luca
2007-07-06

Digital.CSIC (Spain)

41

Dihydrogen bond cooperativity in (HCCBeH)n clusters

Alkorta, Ibon; Elguero, José; Solimannejad, Mohammad
2008-08-14

Digital.CSIC (Spain)

42

Dehydroxylation mechanisms in Al3+/Fe3+ dioctahedral phyllosilicates by quantum mechanical methods with cluster models

Molina-Montes, Esther; Timón, Vicente; Hernández-Laguna, Alfonso; Sainz-Díaz, C. Ignacio
2008-08-15

Digital.CSIC (Spain)

43

Conductive atomic force microscopy study of InAs growth kinetics on vicinal GaAs (110)

Tejedor, Paloma; Díez Merino, Laura; Beinik, Igor; Teichert, Christian
2009-09-21

Digital.CSIC (Spain)

44

Comparative configurational study for He, Ne, and Ar trimers

González Lezana, Tomás; Rubayo-Soneira, Jesús; Miret-Artés, Salvador
1999-05-08

Digital.CSIC (Spain)

45

Cluster-surface and cluster-cluster interactions: ab initio calculations and modelling of Van der Waals forces

Botti, Silvana; Castro, Alberto; Andrade, Xavier; Rubio Secades, Ángel; Marques, Miguel A. L.
2008-07-29

Digital.CSIC (Spain)

46

Checkerboard-ordered pattern of Bi0.5Sr0.5MnO3 low-temperature phase probed by x-ray resonant scattering

Subías, G.; García, Joaquín; Beran, P.; Sánchez, María Concepción; Garcia Muñoz, Josep Lluis
2006-05-01

Digital.CSIC (Spain)

48

Ca impurity in small mixed He-4-He-3 clusters

Guardiola, Rafael; Navarro, Jesús; Mateo, D.; Barranco, M.
2009-11-04

Digital.CSIC (Spain)

49

Band formation from coupled quantum dots formed by a nanoporous network on a copper surface

Lobo-Checa, Jorge; Matena, Manfred; Müller, Kathrin; Dil, Jan Hugo; Meier, Fabian; Gade, Lutz H.; Jung, Thomas A.; Stöhr, Meike
2009-07-17

Digital.CSIC (Spain)

50

Atomic force microscopy shows that vaccinia topoisomerase IB generates filaments on DNA in a cooperative fashion

Moreno-Herrero, Fernando; Holtzer, Laurent; Koster, Daniel A.; Shuman, Stewart; Dekker, Cees; Dekker, Nynke H.
2005-10-19

Digital.CSIC (Spain)

51

An overview on potential energy surfaces of rare-gas dihalogen van der Waals clusters

Delgado Barrio, Gerardo; Prosmiti, Rita; Valdés, Álvaro; Villarreal, Pablo
2006-01-01

Digital.CSIC (Spain)

53

Accurate ab initio intermolecular potential energy surface for the quintet state of the O2(3Σ(-)(g))-O2((3)Σ(-)(g)) dimer

Bartolomei, Massimiliano; Carmona-Novillo, Estela; Hernández, Marta I.; Campos-Martínez, José; Hernández-Lamoneda, Ramón
2008-06-03

Digital.CSIC (Spain)

54

Absence of local magnetic moments in Ru and Rh impurities and clusters on Ag(100) and Pt(997)

Honolka, J. ; Kuhnke, K. ; Vitali, Lucia ; Enders, A. ; Kern, Klaus ; Gardonio, S. ; Carbone, C. ; Krishnakumar, S. R.

6 pages, 5 figures.-- PACS nrs.: 75.20.Hr; 78.20.Ls; 78.70.Dm.-- ArXiv pre-print available at: http://arxiv.org/abs/0708.3975 | The magnetism of quench-condensed Ru and Rh impurities and metal films on Ag(100) and Pt(997) has been studied using x-ray magnetic circular dichroism. In the coverage rang...

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55

Absence of local magnetic moments in Ru and Rh impurities and clusters on Ag(100) and Pt(997)

Honolka, J.; Kuhnke, K.; Vitali, Lucia; Enders, A.; Kern, Klaus; Gardonio, S.; Carbone, C.; Krishnakumar, S. R.; Bencok, Peter; Stepanow, Sebastian; Gambardella, Pietro
2007-10-09

Digital.CSIC (Spain)

56

Ab initio vibrational predissociation dynamics of He-I2(B) complex

Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo; Lemoine, Didier; Lepetit, Bruno
2007-06-29

Digital.CSIC (Spain)

57

Ab initio potential-energy surface for the reaction Ca+HCl --> CaCl+H

Verbockhaven, Gilles; Sanz, Cristina; Groenenboom, Gerrit C.; Roncero, Octavio; Avoird, Ad van der
2005-05-23

Digital.CSIC (Spain)

58

Ab initio potential energy surface and spectrum of the B(3Π) state of the HeI2 complex

Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo; Werner, Hans-Joachim
2007-05-22

Digital.CSIC (Spain)

59

Ab initio ground state potential energy surfaces for Rg–Br2 (Rg = He, Ne, Ar) complexes

Prosmiti, Rita; Cunha, Carlos; Villarreal, Pablo; Delgado Barrio, Gerardo
2002-06-01

Digital.CSIC (Spain)

60

Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complex

Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo
2005-01-05

Digital.CSIC (Spain)

61

A theoretical study of He2ICl van der Waals cluster

Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo
2006-07-06

Digital.CSIC (Spain)

62

A path-integral Monte Carlo study of a small cluster: The Ar trimer

Pérez de Tudela, Ricardo; Márquez-Mijares, Maykel; González Lezana, Tomás; Roncero, Octavio; Miret-Artés, Salvador; Delgado Barrio, Gerardo; Villareal, Pablo
2010-06-23

Digital.CSIC (Spain)

63

A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional form

Aguado, Alfredo; Barragán, Patricia; Prosmiti, Rita; Delgado Barrio, Gerardo; Villarreal, Pablo; Roncero, Octavio
2010-07-14

Digital.CSIC (Spain)

64

A full-configuration interaction "nuclear orbital'' method to study doped 3He(N) clusters (N<=4)

Lara Castells, M. Pilar de; Delgado Barrio, Gerardo; Villarreal, Pablo; Mitrushchenkov, A. O.
2006-12-08

Digital.CSIC (Spain)

65

A full-configuration interaction "nuclear orbital'' method to study doped 3He(N) clusters (N

Lara Castells, M. Pilar de ; Delgado Barrio, Gerardo ; Villarreal, Pablo ; Mitrushchenkov, A. O.

4 pages, 1 figure, 2 tables.-- PACS nrs.: 36.40.Cg; 31.25.-v; 33.15.Ry. | An efficient full configuration interaction (FCI) treatment, based on the Jacobi-Davidson algorithm, is developed in order to study small doped 3He(N) clusters. The state of each He atom in a given cluster is described by a se...

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66

A far-infrared molecular and atomic line survey of the Orion KL region

Polehampton, Edward T.; Lerate, M.R.; Barlow, Michael J.; Swinyard, Bruce M.; Goicoechea, Javier R.; Cernicharo, José; Grundy, Timothy W.; Lim, Tanya L.; Baluteau, Jean-Paul; Viti, S.; Yates, J.
2006-05-17

Digital.CSIC (Spain)

67

A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H(+) + H2 --> H2 + H(+) exchange reaction

González Lezana, Tomás; Roncero, Octavio; Honvault, Pascal; Launay, Jean-Michel; Bulut, Niyazi; Aoiz, F. Javier; Bañares, Luis
2006-09-06

Digital.CSIC (Spain)

68

A density functional theory study of the dissociation of H2 on gold clusters: Importance of fluxionality and ensemble effects

Barrio, Laura; Liu, P.; Rodríguez, José A.; Campos Martín, Jose Miguel; Fierro, Jose L. G.
2006-10-27

Digital.CSIC (Spain)