Sample records for COMPUESTOS DE HELIO (helium compounds)
from WorldWideScience.org

Sample records 1 - 13 shown.



1

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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2

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)

4

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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5

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)

7

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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8

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)

9

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

9 pages, 6 figures, 4 tables.-- PACS nrs.: 31.15.Ar; 31.50.-x; 33.50.Dq; 33.15.Bh; 31.15.Dv; 33.70.Jg. | The three-dimensional interaction potential for I2(B 3Π0(u)+)+He is computed using accurate ab initio methods and a large basis set. Scalar relativistic effects are accounted for by large-core re...

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10

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)

11

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)

12

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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13

A theoretical study of He2ICl van der Waals cluster

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

Digital.CSIC (Spain)