Sample records for COLISIONES ATOMO-MOLECULA (atom-molecule collisions)
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1

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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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
2006-04-24

Digital.CSIC (Spain)

3

Transition state dynamics of OHF on several electronic states: Photodetachment spectrum of OHF- and conical intersections

González-Sánchez, Lola; Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Hernández, M. Luz; Alvariño, José M.; Roncero, Octavio
2004-11-22

Digital.CSIC (Spain)

4

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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5

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)

6

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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7

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)

8

F+OH reactive collisions on new excited 3A'' and 3A' potential-energy surfaces

Gómez Carrasco, Susana ; Roncero, Octavio ; González-Sánchez, Lola ; Hernández, M. Luz ; Alvariño, José M.

13 pages, 10 figures, 5 tables.-- PACS nrs.: 82.30.Cf; 82.20.Kh; 82.20.Db; 82.20.Pm. | Global three-dimensional adiabatic potential-energy surfaces for the excited 2(3)A'' and 1(3)A' triplet states of OHF are obtained to study the F(2P)+OH(2Π)O(3P)+HF(1Σ+) reaction. Highly accurate ab initio calcula...

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9

F+OH reactive collisions on new excited 3A'' and 3A' potential-energy surfaces

Gómez Carrasco, Susana; Roncero, Octavio; González-Sánchez, Lola; Hernández, M. Luz; Alvariño, José M.; Paniagua, Miguel; Aguado, Alfredo
2005-09-22

Digital.CSIC (Spain)

11

Experimental and theoretical determination of rotational-translational state-to-state rate constants for N2:He collisions at low temperature (3

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

10 pages, 7 figures.-- PACS nr.: 34.50.Fa. | We present an experimental determination of state-to-state rotational–translational (RT) rate constants of N2:He collisions in the vibrational ground state as a function of temperature in the range 3 Repository : View repository documents , Digital.CSIC

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12

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)

13

Energy-loss straggling of swift heavy ions in an electron gas

Nagy, Istvan; Vincent, Rémi; Juaristi Oliden, Joseba Iñaki; Echenique, Pedro M.
2008-07-17

Digital.CSIC (Spain)

14

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.

14 pages, 13 figures, 4 tables.-- PACS nrs.: 82.30.Cf; 82.20.Kh; 31.15.Ar; 82.20.Fd; 33.80.Eh; 31.50.Df. | A theoretical study of the F(2P) + OH(2Π)HF(1Σ+) + O(3P) reactive collisions is carried out on a new global potential energy surface (PES) of the ground 3A'' adiabatic electronic state. The ab ...

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15

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)

16

Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF- --> OHF+e-

Gómez Carrasco, Susana ; Aguado, Alfredo ; Paniagua, Miguel ; Roncero, Octavio

16 pages, 14 figures, 1 table.-- PACS nrs.: 82.20.Kh; 82.30.Cf; 33.80.Eh; 82.20.Db; 82.20.Hf. | An energy-based method is proposed for the diabatization of the OH(2Π)+F(2P) --> O(3P)+HF(1Σ+) reaction. It is demonstrated that the diabatic representation obtained is regularized, i.e., the residual der...

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20

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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22

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)