Sample records for ESTADOS DE VIBRACION (vibrational states)
from WorldWideScience.org

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1

Interacción de un láser con un ion atrapado incluyendo dependencia temporal

Vargas-Martínez, J.M.; Martí-Panameño, E. A.; Moya-Cessa, H.
2009-12-01

Resumen en español En la actualidad es posible atrapar iones individuales en trampas de Paul o de Penning, las partículas cargadas son confinadas en el espacio mediante campos electromagnéticos. Un ion atrapado puede contener mucha energía vibracional, lo cual es indeseable en ciertas aplicaciones. En este artículo, partiendo del hamiltoniano de un ion atrapado en un potencial armónico, se demuestra que es posible encontrar transiciones tipo Jaynes-Cummings y anti-Jaynes-Cummings en el (mas) régimen de intensidad intermedia, es decir, ajustando la intensidad del láser que induce el acoplamiento entre los estados internos y vibracionales del ion proporcionalmente a la frecuencia de vibración del ion; estas transiciones son de utilidad porque hacen posible extraer dicha energía vibracional. En nuestro tratamiento consideramos que el ion y el láser están en resonancia, lo que elimina la necesidad de usar láseres sintonizables. También analizamos el problema de un ion atrapado en una trampa dependiente del tiempo interactuando con un haz láser. Mediante un conjunto de transformaciones unitarias con parámetros dependientes del tiempo mostramos que este sistema es equivalente a la interacción entre un haz cuantizado y un sistema de dos niveles con parámetros dependientes del tiempo. El hamiltoniano es linealizado de tal forma que puede ser resuelto mediante métodos que se encuentran en la literatura y que involucran parámetros dependientes del tiempo. La linealización está libre de aproximaciones y de consideraciones sobre los parámetros del sistema, como son, por ejemplo, el parámetro de Lamb- Dicke, la dependencia temporal de la frecuencia de la trampa y la desintonía, con lo que se logra obtener la mejor solución para este tipo de sistemas. También mostramos un caso particular de dependencia temporal de la trampa. Resumen en inglés Nowadays it is possible to trap single ions in Paul or Penning traps, charged particles are confined in space via electromagnetic fields. A trapped ion can have a lot vibrational energy which is undesirable in some applications. In this paper, starting from the Hamiltonian of a trapped ion in a harmonic potential, we show that it is possible to get Jaynes-Cummings and anti- Jaynes- Cummings- like transitions in the intermediate intensity regime, that is, adjusting the int (mas) ensity of the laser that induce the coupling between the internal and vibrational states of the ion proportionally to the vibrational frequency of the ion; these transitions are useful because make it possible to extract the vibrational energy. In our treatment we consider that the ion and the laser are in resonance what eliminate the need of using tuned lasers. Also, the problem of a trapped ion in a trap with time-dependent parameters interacting with a laser field is analyzed. By using a set of time-dependent unitary transformations is shown that this system is equivalent to the interaction between a quantized field and a two level system with time dependent parameters. The Hamiltonian is linearized in such a way that can be solved with methods that are found in some papers and that involve time-dependent parameters. The linearization is free of approximations and assumptions on the parameters of the system as are, for instance, the Lamb-Dicke parameter, the time-dependency of the frequency trap and the detuning, with what we can obtain the best solution for this kind of system. Also, we show a particular case of time-dependency of the trap.

Scientific Electronic Library Online (Spanish)

2

Vibrational quenching of CO2(010) by collisions with O(3P) at thermal energies: A quantum-mechanical study

Lara Castells, M. Pilar de; Hernández, Marta I.; Delgado Barrio, Gerardo; Villarreal, Pablo; López-Puertas, Manuel

10 pages, 6 figures, 1 table, 1 appendix.-- PACS nrs.: 34.50.Ez; 33.20.Tp; 33.15.Mt; 31.15.Ar. | The CO2(010)–O(3P) vibrational energy transfer (VET) efficiency is a key input to aeronomical models of the energy budget of the upper atmospheres of Earth, Venus, and Mars. This work addresses the physi...

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3

Vibrational quenching of CO2(010) by collisions with O(3P) at thermal energies: A quantum-mechanical study

Lara Castells, M. Pilar de; Hernández, Marta I.; Delgado Barrio, Gerardo; Villarreal, Pablo; López-Puertas, Manuel
2006-04-24

Digital.CSIC (Spain)

4

Vibrational properties of the Pt(111)-p(2x2)-K surface superstructure

Rusina, G. G.; Eremeev, S. V.; Borisova, S. D.; Chulkov, Eugene V.

9 pages, 4 figures.-- PACS nrs.: 63.20.Dj, 63.22.+m, 68.35.Ja, 68.43.Pq.-- Original Russian Text published in Fizika Tverdogo Tela, 2008, Vol. 50, No. 8, pp. 1510–1517. | The vibrational spectra of the Pt(111)-p(2x2)-K ordered surface superstructure formed on the platinum surface upon adsorption of ...

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5

Vibrational properties of the Pt(111)-p(2x2)-K surface superstructure

Rusina, G. G.; Eremeev, S. V.; Borisova, S. D.; Chulkov, Eugene V.
2008-08-10

Digital.CSIC (Spain)

6

Vibrational predissociation of NeBr2 (X, v = 1) using an ab initio potential energy surface

Prosmiti, Rita; Cunha, Carlos; Buchachenko, Alexei A.; Delgado Barrio, Gerardo; Villarreal, Pablo
2002-12-08

Digital.CSIC (Spain)

7

Vibrational fingerprint of the structural tuning in push-pull organic chromophores with quinoid or proaromatic spacers.

Casado, Juan; Moreno Oliva, María; Ruiz Delgado, M. Carmen; Lopez Navarrete, Juan T.; Sanchez, Luis; Matin, Nazario; Andreu, Raquel; Carrasquer, Laura; Garin, Javier; Orduna, Jesús
2007-02-15

Digital.CSIC (Spain)

8

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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9

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)

11

Ultrafast electron-phonon decoupling in graphite

Ishioka, Kunie; Hase, Muneaki; Kitajima, Masahiro; Wirtz, Ludger; Rubio Secades, Ángel; Petek, Hrvoje
2008-03-12

Digital.CSIC (Spain)

12

Transition state spectroscopy of the excited electronic states of Li–HF

Aguado, Alfredo; Paniagua, Miguel; Sanz, Cristina; Roncero, Octavio

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13

Transition state spectroscopy of the excited electronic states of Li–HF

Aguado, Alfredo; Paniagua, Miguel; Sanz, Cristina; Roncero, Octavio
2003-11-15

Digital.CSIC (Spain)

14

Torsional selection rules, Raman tensors, and cross sections for degenerate modes of C2H6

Fernández Sánchez, José María; Montero, Salvador

16 pages, 12 figures.-- PACS nrs.: 33.20.Tp, 33.15.Mt, 33.70.Fd. | We analyze the peculiarities induced by the torsional motion on the Raman spectra of the degenerate vibrational bands of ethane. Selection rules for the Raman transitions between the torsionally split energy levels are derived first ...

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16

Time and frequency resolved dynamics of ArBr2

Cabrera, José; Bieler, Craig R.; McKinney, Natalie; Veer, Wytze E. van der; Pio, Jordan M.; Janda, Kenneth

11 pages, 9 figures, 4 tables.-- PACS nrs.: 33.80.Gj; 33.20.Tp; 33.20.Sn. | We report the first spectroscopic observation of and vibrational predissociation dynamics for ArBr2. Measurements are reported for the linear and T-shaped isomers with time and frequency resolution near the Fourier limit of ...

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17

Time and frequency resolved dynamics of ArBr2

Cabrera, José; Bieler, Craig R.; McKinney, Natalie; Veer, Wytze E. van der; Pio, Jordan M.; Janda, Kenneth; Roncero, Octavio
2007-10-25

Digital.CSIC (Spain)

18

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)

19

The slowly expanding envelope of CRL618 probed with HC3N rotational ladders

Pardo Carrión, Juan Ramón; Cernicharo, José; Goicoechea, Javier R.; Phillips, Thomas G.
2004-07-09

Digital.CSIC (Spain)

23

The CP43 Proximal Antenna Complex of Higher Plant Photosystem II Revisited: Modeling and Hole Burning Study. I

Dang, Nhan C.; Zazubovich, Valter; Reppert, Mike; Neupane, Bhanu; Picorel Castaño, Rafael; Seibert, Michael; Jankowiak, Ryszard
2008-08-01

Digital.CSIC (Spain)

24

Symmetry assignment in the distributed Gaussian functions method to study homonuclear rotating trimers

Márquez-Mijares, Maykel; González Lezana, Tomás; Roncero, Octavio; Miret-Artés, Salvador; Delgado Barrio, Gerardo; Villarreal, Pablo
2008-06-20

Digital.CSIC (Spain)

25

Structural characterization of kerogen in 3.4 Ga Archaean cherts from the Pilbara Craton, Western Australia

Marshall, Craig P.; Love, Gordon D.; Snape, Colin E.; Hill, Andrew C.; Allwood, Abigail C.; Walter, Malcolm R.; Van Kranendonk, Martin J.; Bowden, Stephen A.; Sylva, Sean P.; Summons, Roger E.
2007-05-05

Digital.CSIC (Spain)

26

Spectral properties and isomerism of nitroenamines. Part 3

Chiara, José Luis; Gómez-Sánchez, Antonio; Bellanato, Juana
1992-01-01

Digital.CSIC (Spain)

27

Roto-vibrational spectrum and Wigner crystallization in two-electron parabolic quantum dots

Puente, Antonio; Serra, Llorenç; Nazmitdinov, Rashid G.

9 pages (final publisher version), 10 pages, 8 figures (attached post-print version).-- PACS nrs.: 73.21.La, 73.21.-b.-- Pre-print version available at ArXiv: http://arxiv.org/abs/cond-mat/0308430. | We provide a quantitative determination of the crystallization onset for two electrons in a paraboli...

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28
30

Ro-vibrational Raman Cross Sections of Water Vapor in the OH Stretching Region

Avila, Gustavo; Fernández Sánchez, José María; Maté, Belén; Tejeda, Guzman; Montero, Salvador
1999-07-01

Digital.CSIC (Spain)

31

Resonant plasmonic and vibrational coupling in a tailored nanoantenna for infrared detection

Neubrech, Frank; Pucci, Annemarie; Cornelius, Thomas Walter; Karim, Shafqat; García-Etxarri, Aitzol

4 pages, 4 figures.-- PACS nrs.: 78.67.Lt, 33.70.-w, 73.20.Mf, 78.30.-j. | A novel resonant mechanism involving the interference of a broadband plasmon with the narrowband vibration from molecules is presented. With the use of this concept, we demonstrate experimentally the enormous enhancement of t...

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32

Resonant plasmonic and vibrational coupling in a tailored nanoantenna for infrared detection

Neubrech, Frank; Pucci, Annemarie; Cornelius, Thomas Walter; Karim, Shafqat; García-Etxarri, Aitzol; Aizpurúa, Javier
2008-10-07

Digital.CSIC (Spain)

33

Raman scattering of InSb quantum dots grown on InP substrates

Armelles Reig, Gaspar; Utzmeier, T.; Postigo, Pablo Aitor; Briones Fernández-Pola, Fernando; Ferrer, J. C.; Peiró, P.; Cornet, A.
1997-05-01

Digital.CSIC (Spain)

34

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)

35

Possibilities of monitoring the polymerization process of silicon-based water repellents and consolidants in stones through infrared and Raman spectroscopy

Domingo, Concepción; Álvarez de Buergo, Mónica; Sánchez-Cortés, Santiago; Fort González, Rafael; García-Ramos, José Vicente; Gómez-Heras, Miguel
2008-05-14

Digital.CSIC (Spain)

36

Photodetachment spectrum of OHF-: Three-dimensional study of the heavy–light–heavy resonances

González-Sánchez, Lola; Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Hernández, M. Luz

12 pages, 14 figures, 1 table.-- PACS nrs.: 82.30.Cf; 82.20.Kh; 31.15.Ar; 33.15.Mt; 33.80.Gj; 31.25.Eb; 31.50.Bc. | In this work a simulation of the OHF- photodetachment spectrum is performed in a three-dimensional potential energy surface recently developed for OHF(3A''). The ground 2A' state poten...

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37

Photodetachment spectrum of OHF-: Three-dimensional study of the heavy–light–heavy resonances

González-Sánchez, Lola; Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Hernández, M. Luz; Alvariño, José M.; Roncero, Octavio
2004-07-01

Digital.CSIC (Spain)

38

Nonadiabatic couplings in the collisional removal of O2(b g+,v) by O2

Dayou, F.; Hernández, Marta I.; Campos-Martínez, José; Hernández-Lamoneda, Ramón
2010-01-28

Digital.CSIC (Spain)

39

New high-spin isomer and quasiparticle-vibration coupling in Ir-187

Algora, Alejandro; Modamio, V.; Jungclaus, A.; Bazzacco, D.; Escrig, D.; Fraile, L. M.; Lenzi, S.; Marginean, N.; Martinez, T.; Napoli, D. R.; Schwengner, R.; Ur, C. A.
2010-05-12

Digital.CSIC (Spain)

41

Nanomechanical mass sensing and stiffness spectrometry based on two-dimensional vibrations of resonant nanowires

Gil-Santos, Eduardo; Ramos, Daniel; Martinez, Javier; Fernández-Regúlez, Marta; García García, Ricardo; San Paulo, Álvaro; Calleja, Montserrat; Tamayo, Javier
2010-08-08

Digital.CSIC (Spain)

42

Low-temperature inelastic collisions between hydrogen molecules and helium atoms

Tejeda, Guzmán; Thibault, Franck; Fernández Sánchez, José María; Montero, Salvador

11 pages, 12 figures.-- PACS nrs.: 34.50.Ez, 34.20.-b, 33.15.Mt.-- PMID: 18554014 [PubMed]. | Inelastic H(2):He collisions are studied from the experimental and theoretical points of view between 22 and 180 K. State-to-state cross sections and rates are calculated at the converged close-coupling lev...

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43

Low-temperature inelastic collisions between hydrogen molecules and helium atoms

Tejeda, Guzmán; Thibault, Franck; Fernández Sánchez, José María; Montero, Salvador
2008-06-11

Digital.CSIC (Spain)

44

Key role of spin-orbit effects in the relaxation of CO2(010) by thermal collisions with O(3Pj)

Lara Castells, M. Pilar de; Hernández, Marta I.; Delgado Barrio, Gerardo; Villarreal, Pablo; López-Puertas, Manuel
2007-05-01

Digital.CSIC (Spain)

46

Inelastic collisions in para-H2: Translation-rotation state-to-state rate coefficients and cross sections at low temperature and energy

Maté, Belén; Thibault, Franck; Tejeda, Guzmán; Fernández Sánchez, José María; Montero, Salvador

8 pages, 5 figures.-- PACS nrs.: 34.50 Ez. | We report an experimental determination of the k(00-->02) rate coefficient for inelastic H2:H2 collisions in the temperature range from 2 to 110 K based on Raman spectroscopy data in supersonic expansions of para-H2. For this purpose a more accurate metho...

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47

Inelastic collisions in para-H2: Translation-rotation state-to-state rate coefficients and cross sections at low temperature and energy

Maté, Belén; Thibault, Franck; Tejeda, Guzmán; Fernández Sánchez, José María; Montero, Salvador
2005-02-03

Digital.CSIC (Spain)

48

Highly excited vibrational states of HCN around 30 000 cm−1

Martínez, R. Z.; Lehmann, Kevin K.; Carter, Stuart
2006-11-06

Digital.CSIC (Spain)

49

High-spin states in the vibrational nucleus Cd-114

Jungclaus, Andrea; Algora, Alejandro; Axiotis, M.; García Borge, María José; Fernández, M. A.; Gadea, A.

2 pages, 2 figures.-- PACS nrs.: 23.20.Lv; 27.60.+j.-- Printed version published Apr 15, 2004. | High-spin states of the neutron-rich vibrational nucleus Cd-114 have been studied using the incomplete fusion reaction Pd-110(Li-7, p2n) and the GASP spectrometer in conjunction with the ISIS Si ball. Ab...

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50

High-spin states in the vibrational nucleus Cd-114

Jungclaus, Andrea; Algora, Alejandro; Axiotis, M.; García Borge, María José; Fernández, M. A.; Gadea, Andrés; Galindo, E.; Hausmann, M.; Lenzi, S.; Martínez, T.; Napoli, D. R.; Piqueras, Inmaculada; Schwengner, R.; Ur, C.
2004-02-17

Digital.CSIC (Spain)

51

High-J v=0 SiS Maser Emission in IRC+10216: A New Case of Infrared Overlaps

Fonfría, José Pablo; Agúndez, Marcelino; Tercero, Belén; Pardo Carrión, Juan Ramón; Cernicharo, José
2006-08-01

Digital.CSIC (Spain)

52

High-J v=0 SiS Maser Emission in IRC+10216: A New Case of Infrared Overlaps

Fonfría, José Pablo; Agúndez, Marcelino; Tercero, Belén; Pardo Carrión, Juan Ramón; Cernicharo, José
2007-10-09

Digital.CSIC (Spain)

53

He79Br2 B,v = 8_X,v ''= 0 excitation spectrum: Ab initio prediction and spectroscopic manifestation of a linear isomer

Buchachenko, Alexei A.; Prosmiti, Rita; Cunha, Carlos; Delgado Barrio, Gerardo; Villarreal, Pablo
2002-10-01

Digital.CSIC (Spain)

55

Exactly solvable models of proton and neutron interacting bosons

Lerma H., Sergio; Errea, Beatriz; Dukelsky, Jorge; Pittel, S.; Van Isacker, P.
2006-08-22

Digital.CSIC (Spain)

56

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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57

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)

59

Espectroscopía Raman de nanotubos de carbono

Santoro, Gonzalo; Domingo, Concepción
2007-01-01

Digital.CSIC (Spain)

60

Direct versus resonances mediated F+OH collisions on a new 3A'' potential energy surface

Gómez Carrasco, Susana; González-Sánchez, Lola; Aguado, Alfredo; Roncero, Octavio; Alvariño, José M.; Hernández, M. Luz; Paniagua, Miguel
2004-09-08

Digital.CSIC (Spain)

62

Detection of circumstellar CH2CHCN, CH2CN, CH3CCH and H2CS

Agúndez, Marcelino; Fonfría, José Pablo; Cernicharo, José; Pardo Carrión, Juan Ramón; Guélin, Michel
2007-12-06

Digital.CSIC (Spain)

63

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)

64

Competition between adiabatic and nonadiabatic fragmentation pathways in the unimolecular decay of the ArI2(B) van der Waals complex

Roncero, Octavio; Buchachenko, Alexei A.; Lepetit, Bruno

12 pages, 6 figures, 3 tables, 1 appendix.-- PACS nrs.: 34.50.Ez; 33.80.Gj; 33.70.Ca; 33.15.Mt; 31.15.Md; 33.20.Tp. | The competition between vibrational and electronic predissociations of the ArI2(B) van der Waals complex has been studied using several dynamical computational methods: exact quantum...

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66

Comparative configurational study for He, Ne, and Ar trimers

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

Digital.CSIC (Spain)

67

Communications: a model study on the electronic predissociation of the NeBr2 van der Waals complex

Sanz-Sanz, Cristina; Roncero, Octavio; Hernández-Lamoneda, Ramón; M. Pio, Jordan; A. Taylor, Molly; C. Janda, Kenneth
2010-06-10

Digital.CSIC (Spain)

68

Collisional and photoinitiated reaction dynamics in the ground electronic state of Ca–HCl

Sanz, Cristina; Avoird, Ad van der; Roncero, Octavio

11 pages, 14 figures, 1 table.-- PACS nrs.: 82.30.Cf; 82.50.-m; 82.20.Kh; 82.30.Fi; 82.20.Rp; 82.20.Fd; 33.20.Ea; 33.15.Ry; 33.15.Dj; 82.30.Hk. | Ca+HCl(ν,j) reactive collisions were studied for different rovibrational states of the HCl reactant using wave-packet calculations in reactant Jacobi coor...

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70

Anharmonic effects on the structural and vibrational properties of the ethyl radical: A path integral Monte Carlo study

López Ciudad, Telesforo; Ramírez, Rafael; Schulte, Joachim; Böhm, Michael C.
2003-08-22

Digital.CSIC (Spain)

71

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)

72

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)

73

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

Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo; Lemoine, Didier; Lepetit, Bruno

7 pages, 5 figures, 5 tables.-- PACS nrs.: 31.15.Ar; 31.15.Dv; 33.80.Gj; 33.20.Tp; 33.70.Ca. | Three-dimensional quantum mechanical calculations on the vibrational predissociation dynamics of HeI2 B state complex are performed using a potential energy surface accurately fitted to unrestricted open-s...

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74

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)

75

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

12 pages, 9 figures, 7 tables.-- PACS nrs.: 31.15.Ar; 82.20.Kh; 33.15.Bh; 34.20.Gj; 31.15.Dv; 33.20.Ea; 33.20.Vq. | The potential-energy surface of the ground electronic state of CaHCl has been obtained from 6400 ab initio points calculated at the multireference configuration-interaction level and r...

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76

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)

77

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)

79

Ab initio characterization of C5

Massó, Helena; Veryazov, V.; Malmqvist, P. A.; Roos, B. O.; Senent Díez, María Luisa
2007-10-01

Digital.CSIC (Spain)

80

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)

82

A theoretical study of He2ICl van der Waals cluster

Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo

10 pages, 7 figures, 4 tables.-- PACS nrs.: 31.15.Dv; 33.15.Bh; 31.15.Ar; 33.15.Mt. | The structure, energetics, and dynamics of He2ICl complex in its ground state are studied by means of ab initio electronic structure and quantum-mechanical calculations. Interaction energies for selected He2ICl con...

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83

A theoretical study of He2ICl van der Waals cluster

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

Digital.CSIC (Spain)

84

A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations

Márquez-Mijares, Maykel; Pérez de Tudela, Ricardo; González Lezana, Tomás; Roncero, Octavio; Miret-Artés, Salvador

11 pages, 2 figures, 4 tables.-- PACS nrs.: 33.20.Vq; 33.20.Sn; 33.15.Mt; 33.20.Tp; 31.15.xt. | A detailed study of the rovibrational spectrum of the Ar trimer is performed by means of an exact hyperspherical coordinate (HC) method and a variational approach based on distributed Gaussian functions (...

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85

A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations

Márquez-Mijares, Maykel; Pérez de Tudela, Ricardo; González Lezana, Tomás; Roncero, Octavio; Miret-Artés, Salvador; Delgado Barrio, Gerardo; Villarreal, Pablo; Baccarelli, Isabella; Gianturco, Franco Antonio; Rubayo-Soneira, Jesús
2009-04-15

Digital.CSIC (Spain)

86

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)

88

A Solid-State Electrochemical Reaction as the Origin of Magnetism at Oxide Nanoparticle Interfaces

Martín-González, Marisol S.; García, Miguel A.; Lorite, Israel; Costa Krämer, José Luis; Rubio Marcos, Fernando; Carmona, N.; Fernández Lozano, José Francisco
2010-01-12

Digital.CSIC (Spain)

89

A Detailed Analysis of the Dust Formation Zone of IRC+10216 Derived from Mid-Infrared Bands of C2H2 and HCN

Fonfría, José Pablo; Cernicharo, José; Richter, Matthew J.; Lacy, John H.
2008-01-20

Digital.CSIC (Spain)

90

A Detailed Analysis of the Dust Formation Zone of IRC+10216 Derived from Mid-IR Bands of C2H2 and HCN

Fonfría, José Pablo; Cernicharo, José; Richter, Matthew J.; Lacy, John H.
2007-10-09

Digital.CSIC (Spain)

91

Maté, Belén; Thibault, Franck; Ramos, Ángel; Tejeda, Guzmán; Fernández Sánchez, José María; Montero, Salvador

DRIVER (Spanish)