Wave-packet State-to-state diff. cross-sections
   
Coupled diabatic PES's for the OH+F system
   
New inversion technique for Embedding pot.
         
    Reactivity on Metallic Nano-Objects  
 
 
 

Publications
     
94   An inversion technique for the calculation of embedding potentials
    O. Roncero, M.P. de Lara-Castells,  P. Villarreal, F. Flores, J. Ortega, M. Paniagua and A. Aguado
J. Chem. Phys., 129, (2008), 184104
93   Symmetry assignment in the distributed Gaussian functions method to study homonuclear rotating trimers
    M. Márquez-Mijares, T. González-Lezana, O. Roncero, S. Miret-Artés, G. Delgado-Barrio and  P. Villarreal . Chem. Phys. Lett., 460, (2008), 417.
92   Exact, Born-Oppenheimer and quantum chemistry-like calculations in Helium clusters doped with light molecules: the He2N2(X) system
    O. Roncero, M.P. de Lara-Castells, G. Delgado-Barrio, P. Villarreal, T. Stoecklin, A. Voronin and J.C. Rayez . J. Chem. Phys., 128, (2008), 164313
91   Transition state spectroscopy of the photoinduced Ca+CH3F  reaction III. The tunneling reaction mechanism after local excitation to Ca(4s3d 1D)
    E. Gloaguen, C. Sanz-Sanz, M. Collier, M.-A. Gaveau, B. Soep, O. Roncero and J.-M. Mestdagh . J. Phys. Chem. A, 112, (2008), 1408-1420
90   On the dynamics of the H++D2(v=0,j=0) --> HD+D+ reaction: a comparison between theory and experiment
    E. Carmona-Novillo, T. González-Lezana, O. Roncero, P. Honvault, J.M. Launay, N. Bulut, F.J. Aoiz, L. Bañares, A. Trottier and E. Wrede . J. Chem. Phys., 128, (2008), 014304.
89   Time and frequency resolved dynamics of ArBr2
    J. Cabrera, C. R. Bieler, N. McKinney, W. E. van der Veer, J. Pio,  K.C. Janda and O. Roncero . J. Chem. Phys., 127, (2007), 164309.
88   Exact and quantum chemistry-like calculations in helium doped cluster: The He2Br2(X).
    O. Roncero, R. Pérez-Tudela,  M.P. de Lara-Castells, R. Prosmiti, G. Delgado-Barrio and P. Villarreal . Int. J. Quantum Chem., 107, (2007), 2756.
87   Transition state spectroscopy of open shell systems:  photodetachment spectra for the adiabatic singlet states of OHF
    S. Gómez-Carrasco, A. Aguado,  M. Paniagua and O. Roncero . J. Photochemistry and Photobiology A , 190, (2007), 145
86   Understanding chemical reactions involving non-adiabatic transitions: predissociation of the electronically excited Li-HF complex
    A. Aguado, M. Paniagua, C. Sanz and O. Roncero in ``Recent Advances in the Theory of Chemical and Physical Systems'' in the series ``Progress in theoretical chemistry and Physics'' vol. 15, pg. 385 (2006) Eds. J. P. Julien, J. Maruani, D. Mayou, S. Wilson and G. Delgado-Barrio.
85   Coupled Diabatic Potential Energy Surfaces for studying the non-adiabatic dynamics at conical intersections in  angular resolved photodetachment simulations of OHF-  ---> OHF+e-.
    S. Gómez-Carrasco, A. Aguado, M. Paniagua and O. Roncero
J. Chem. Phys., 125, (2006), 164321
84   A detailed quantum mechanical  and quasiclassical trajectory study on the dynamics of the H++H2 ---> H2+H+  exchange reaction
    T. González-Lezana, O. Roncero, P. Honvault, J.-M. Launay, N. Bulut, F. J. Aoiz and L. Bañares
J. Chem. Phys., 125, (2006), 094314.
83   Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatments
    Susana Gómez-Carrasco and Octavio Roncero
J. Chem. Phys.,  125, (2006), 054102
82   Quantum approaches for the insertion dynamics of the  H++D2 and D++H2 reactive collisions 
    Gonzalez-Lezana, A. Aguado, M. Paniagua and O.Roncero
J. Chem. Phys., 123, (2005), 194309.
81   F+OH reactive collisions on new excited 3A'' and 3A'  potential energy surfaces
    S. Gómez-Carrasco, O. Roncero,  L. González-Sánchez, M. Luz Hernández, J. M. Alvariño, M. Paniagua  and A. Aguado
J. Chem. Phys.,  123, (2005), 114310.
80   Collisional and photoinitiated reaction dynamics in the ground electronic state of CaHCl.
    C. Sanz, A. van der Avoird and O. Roncero
J. Chem. Phys.,  123 , (2005), 064301.
79   Ab initio Potential Energy Surface for the Ca+HCl ---> CaCl +H.
    G. Verbockhaven, C. Sanz,  G. C. Gronenboom, O. Roncero and A. van der Avoird
J. Chem. Phys., 122, (2005), 204307.
78   Adsorption and non-adiabatic processes in the   photodesorption of molecular oxygen from the reduced TiO2(110)  surface
    M.P. de Lara-Castells,   A.O. Mitrushenkov, O. Roncero and J.L. Krause
Israel J. Phys.,  45, (2005), 59.
77   Competition between adiabatic and non-adiabatic fragmentation pathways in the ArI$_2$(B) van der Waals complex.
    O. Roncero, A.A. Buchachenko and B. Lepetit
J. Chem. Phys., 122, (2005), 034303.
76   Reaction dynamics on conical intersections for the OHF system
    O. Roncero, S: Gómez-Carrasco, L. González-Sánchez, M. Paniagua and A. Aguado
in “Quantum dynamics at conical intersections”
Eds. S. Althorpe and G. Worth
Collaborative Computational Project on Molecular Quantum Dynamics,Daresbury (2004)
75   Transition state dynamics of OHF on several electronic states: Photodetachment spectrum of OHF- and conical intersections.
    L. González-Sánchez, S. Gómez-Carrasco, A. Aguado, M. Paniagua,  M. Luz Hernández,  J.M. Alvariño and O. Roncero
J. Chem. Phys., 121,(2004), 9865
74   Quantum Stereodynamics of the F+OH(v,j) reactive  collision on the 1$^3$A'' state
    L. González-Sánchez,  S. Gómez-Carrasco, A. Aguado, M. Paniagua, M.Luz Hernández, J.M. Alvariño and O. Roncero
Molecular Phys.  102,(2004),2381.
73   Direct versus resonances mediated F+OH collisions on a  new 3A'' potential energy surface
    Gómez-Carrasco,  L. González-Sánchez, A. Aguado,  O. Roncero, M. Luz Hernández, J.M. Alvariño and M. Paniagua,
J. Chem. Phys.  121,(2004), 4605.
72   Photodetachment spectrum of OHF-: Three-dimensional study of the heavy-light-heavy resonances.
    L. González-Sánchez, S. Gómez-Carrasco, A. Aguado, M. Paniagua,  M. Luz Hernández,  J.M. Alvariño and O. Roncero
J. Chem. Phys., 121,(2004), 309.
71   Dynamics and kinetics of the F+OH reaction on the ground   triplet potential energy surface
    S. Gómez-Carrasco,  L. González-Sánchez, A. Aguado, M. Paniagua, O. Roncero, M. Luz Hernández and J.M. Alvariño
Chem. Phys. Lett.,383,(2004), 25.
70   Electronic transition state spectroscopy of LiHF
    A. Aguado, M. Paniagua, C. Sanz and O. Roncero
J. Chem. Phys., 119, 10088,(2003)
69   ArI2:  A model system for complex dynamics
    A.A. Buchachenko, N. Halberstadt, B. Lepetit and O. Roncero
Int. Rev.  Phys. Chem., 22,(2003),153.
68   D3+ rovibrational levels and spectra for the adiabatic 11A' and 13A' electronic states
    E. Cuervo-Reyes, J. Rubayo-Soneira, A. Aguado, M. Paniagua, C. Tablero, C. Sanz and O. Roncero
Phys. Chem. Chem. Phys.,  4, 6012, (2002).
67   Time dependent methods to study the dissociation dynamics of tri and tetra-atomic clusters
    M.I. Hernández, A. García-Vela, J. Campos-Martínez, O. Roncero, P. Villarreal and G. Delgado-Barrio
Computer Physics Communications, 145,97,(2002).
66   A combined Quantum/Classical study of the photodissociation dynamics of NeBr2 near Br2 dissociation  limit
    R. Prosmiti, P. Villarreal, G. Delgado-Barrio and O. Roncero
Chemical Physics Letters,  359, 229, (2002).
65   Electronic and vibrational predissociation in the ArI2 photodissociation
    B. Lepetit, O. Roncero, A. A. Buchachenko and N. Halberstadt
Journal of Chemical Physics,  116, 8367,(2002).
64   Transition state spectroscopy of the excited electronic states of Li-HF
    C. Sanz, O. Roncero, M. Paniagua and A. Aguado
Chemical Physics Letters, 351, 295, (2002).
63   ArI2(X) --->Ar + I2(B) photodissociation:     comparison between linear and T-shaped isomers dynamics
    O. Roncero, B. Lepetit, J.A. Beswick, N. Halberstadt and A. A. Buchachenko
J. Chem. Phys., 115, 6961, (2001).
62   Photodissociation of NeBr2(B) below and above the dissociation limit of Br2(B).
    O. Roncero, J. Campos-Martínez, M.I. Hernández, G. Delgado-Barrio, P. Villarreal and J. Rubayo-Soneira.
J. Chem. Phys., 115, 2566 (2001).
61   Exploring the transition state for the Li+HF --->LiF+H reaction through the A<---X absorption spectrum and X<---A stimulated emision pumping.
    A. Aguado, M. Lara, M. Paniagua and O. Roncero.
J. Chem. Phys.,  114 ,3440, (2001)
60   The lowest triplet state 3A' of H3+: Global potential energy surface and vibrational calculations
    C. Sanz , O. Roncero, C. Tablero, A. Aguado and M. Paniagua.
J. Chem. Phys., 114 , 2182, (2001)
59   A Diatomics-in-molecule perturbation theory for the ground-state potential energy surface of ArI2.
    A.A. Buchachenko, O. Roncero and N.F. Stepanov
Russian J. Phys. Chem.,  74,  S193 (2000)
58   Application of a time-dependent Hartree approach on several surfaces to the vibrational prediss. of Ne2I2
    E. Carmona-Novillo, J. Campos-Martínez, M.I. Hernández, O.Roncero, P. Villarreal and G. Delgado-Barrio.
Molecular Physics., 98,1783, (2000)
57  

State-to-state probabilities using bond coordinates: Application to th Li+HF(v,j) reactive collision.
    M. Lara, A. Aguado, M. Paniagua and O. Roncero
J. Chem. Phys., 113, 1781, (2000)
56   Global potential energy surfaces for the H3+ system. Analytical representation of the adiabatic ground state 11A' potential.
    A. Aguado, O. Roncero, C. Tablero, C. Sanz and M. Paniagua.
J. Chem. Phys.,  112, 1240,(2000)
55   Transition state spectroscopy via infrared excitation of Li-HF and Li-DF van der Waals precursors.
    M. Paniagua, A. Aguado, M. Lara and O. Roncero
J. Chem. Phys., 111, 6712, (1999)
54   Dinámica de fragmentación de agregados tetra-atómicos X2...BC.
    G. Delgado-Barrio, M.I. Hernández, O. Roncero, J. Campos-Martínez, A. García-Vela, J. Rubayo-Soneira y P. Villarreal.
in  Temas Actuales de la Química Cuántica.
Editor: J. Fernández-Rico and J.M. Garcìa de la Vega.
UAM Ediciones, Madrid, 1998, pg. 263
   
53. Photofragmentation of weakly bound complexes.

O. Roncero, N. Halberstadt and J.A. Beswick
in Advances in multi-photon precesses and spectroscopy, Vol.11.
Eds. S.H. Lin, A.A. Villaeys and F.Y. Fujimura.
World Scientific Publishing Co. Pte. Ltd., 1998, pag. 99.

52. Quantum stereodynamics of the Li+HF(v,j) reactive collision for different initial states of the reagent.

M. Lara,  A. Aguado, O. Roncero and M. Paniagua.
J.  Chem. Phys., 109, 9391,( 1998 )

51. The B <--- Spectrum of ArCl2: linear and perpendicular isomers.

K.C. Janda, D. Djahandideh, O. Roncero and N. Halberstadt.
Chem. Phys., 239, 177, (1998).

  50. Potential energy surface and spectroscopy of clusters of rare-gas atoms with cyclopropane.

O. Roncero, P. Villarreal, G. Delgado-Barrio, J. González-Platas and J. Bretón.
J.  Chem. Phys., 109, 9288, (1998 )

49. Transition state spectroscopy of the Li+ HF system.

M. Paniagua, A. Aguado, M. Lara and O. Roncero.
J.  Chem. Phys.,  109, 2971,( 1998 )

48.  Non radiative lifetimes for LiH in the A state using adiabatic and diabatic schemes

F.X. Gadea, H. Berriche, O. Roncero, P. Villarreal and G. Delgado-Barrio.
J. Chem. Phys., 107, 10515, (1997)

47. Quantum study of the Li+ HF ---> LiF + H reaction.

A. Aguado, M. Paniagua, M. Lara and O. Roncero.
J.  Chem. Phys., 107, 10085,( 1997)

46. From the sparse to the statistical limit of intramolecular vibrational redistribution in vibrational  predissociation: ArCl2 as an example.

O. Roncero, D. Caloto, J.C. Janda and N. Halberstadt
J.  Chem. Phys., 107, 1406, (1997)

45. Potential energy surface and wavepacket calculations on the Li+ HF ---> LiF + H reaction.

A. Aguado, M. Paniagua, M. Lara and O. Roncero.
J.  Chem. Phys., 106, 1013, (1997)

44. Vibrational Predissociation of ArCl2: toward the determination of the potential energy surface of the B state.

K.J. Janda, O. Roncero and N. Halberstadt
J.  Chem. Phys.,  105, 5830,  (1996)

43.  A 3-dimensional wave packet study of Ar...I2(B) ---> Ar+I+I electronic predissociation.

O. Roncero, N. Halberstadt and J.A. Beswick
J.  Chem. Phys., 104, 7554, (1996)

42. Quantum dynamics of of Ar...I2 vibrational predissociation including low total angular momenta: The role of intramolecular vibrational energy redistribution.

O. Roncero and S. K. Gray
J. Chem. Phys,  104, 4999, (1996).

41. Time--dependent Hartree study of lifetimes for the Ne2I2 van der Waals cluster.

J. Campos-Martínez, M. I. Hernández, O. Roncero, P. Villarreal and G. Delgado-Barrio
Chem. Phys. Lett., 246, 197, (1995)

40. Wave packet study of the Ne2I2 fragmentation dynamics: a four degrees of freedom model

O. Roncero, G. Delgado-Barrio, M. I. Hernández, J. Campos-Martínez and P. Villarreal
Chem. Phys. Lett., 246, 187, (1995)

39.  Vibrational predissociation and intramolecular vibrational energy redistribution: three-dimensional quantum dynamics of ArI2.


S.K. Gray and O. Roncero
J. Phys. Chem., 99, (1995), 2512

38. Caging and nonadiabatic electronic transitions in I2-M complexes

O. Roncero, N. Halberstadt and J.A.Beswick
in Reaction dynamics in clusters and condensed phases
Editor:B. Pullman, J. Jortner & R.D. Levine
Kluwer Academic, Dordrecht, 1994, pg. 73

37. Theoretical spectroscopy and dynamics of tetra-atomic van der Waals clusters

G. Delgado-Barrio, A. Garcia-Vela, J. Rubayo-Soneira, J. Campos-Martinez, S. Miret-Artes, O.Roncero and P. Villarreal
in Reaction dynamics in clusters and condensed phases
Editor: B. Pullman, J. Jortner & R.D. Levine
Kluwer Academic, Dordrecht, 1994, pg. 57

35.  Energy levels and structure of tetra-atomic van der Waals clusters


P. Villarreal, O. Roncero and G. Delgado-Barrio
J. Chem. Phys., 101, (1994), 2217.

  34. Electronic predissociation in Ar-I2 complex

O. Roncero, J.A. Beswick and N. Halberstadt
Faraday Discuss. , 97, (1994), 211.

33. Vector  correlations in the photopredissociation of  van der Waals clusters


O. Roncero, P. Villarreal, G. Delgado-Barrio, N. Halberstadt and J.A. Beswick
J. Phys.  Chem., 98, (1994), 3307.

32. Vector properties in photodissociation: Quantum treatment of the correlation  between the spatial anisotropy and the angular momentum of the fragments


L.D.A. Siebbeles , M. Glass-Maujean, O.S. Vasyutinskii, J.A. Beswick and O. Roncero
J.Chem. Phys., 100 , (1994), 3610.

31. Coherence effects between  intramolecular vibrational relaxation and dissociation in triatomic van der Waals systems

O. Roncero, P. Villarreal, G. Delgado-Barrio, N. Halberstadt and K.C. Janda
J. Chem. Phys., 99, (1993), 1035.

  30. Theoretical approaches to study the vibrational predissociation of van der Waals molecules

G. Delgado-Barrio, S. Serna, S. Mirét-Artés, O. Roncero, J. Campos-Martínez and P. Villarreal
Laser Chemistry, 12, (1992) ,103--121


29. Vibrational Predissociation of Ar..Cl2 van der Waals complex: the small molecule limit for IVR

N. Halberstadt, S. Serna, O. Roncero and K.C. Janda
J. Chem. Phys.,  97, (1992), 341

28.  On the orientation of molecular photofragments produced in highly excited rotational states

J. A. Beswick, M. Glass-Maujean and O. Roncero
J. Chem. Phys.,  96, (1992), 7514--7527

27. Intramolecular vibrational relaxation (IVR) in a triatomic van der Waals molecule: Ar..Cl2

N. Halberstadt, J.A. Beswick, O. Roncero and K.C. Janda
J. Chem. Phys., 96, (1992), 2404--2407

26. The diabatic approximation in the classical frame.

P. Villarreal, S. Serna, O. Roncero and G. Delgado-Barrio
J. Mol. Struct.,  254, (1992) 117--123

25. Coherent excitation effects in Photodissociation strong orientation of molecular products

J. A. Beswick, M. Glass-Maujean and O. Roncero
in  Mode Selective Chemistry
Editor: J. Jortner, R.D. Levine & B. Pullman
Kluwer Academic, Dordrecht, 1991, Vol. 24 307--322

24. Time--dependent Golden-Rule of the 4He-Cu(110) elastic scattering.

M. I. Hernández, S. Serna, O. Roncero, P. Villarreal and . Delgado-Barrio
Surf. Science, 251/252, (1991),  373--376

23. A wavepacket Golden Rule treatment of vibrational predissociation

P. Villarreal, S. Mirét-Artés, O. Roncero, G. Delgado-Barrio, J.A. Beswick, N. Halberstadt and R.D. Coalson
J. Chem. Phys.,  94, (1991), 4230--4233

22. A comparison of different propagation schemes for the time dependent Schrödinger Equation.

C.  Leforestier, Bisseling, Cerjan, Feit, Friesner, Culdberg, Hammerich, Jolicard, Karrelein, Meuyer, Lipkin, Roncero and R. Kosloff
Journal of Computational Physics, 94, (1991), 59--80

21. A theoretical study of Hg..Arn (n=1,2,3) clusters excited in the Hg (3 P <---1 S) spectral region.

O. Roncero, J. A. Beswick, N. Halberstadt and B. Soep
in  Dynamics of Polyatomic van der Waals Complexes
Editor: N. Halberstadt & K. C. Janda
NATO ASI Series B 227 (1990) 471--491

20. Alternative decoupled representations for the dynamics of vdw molecules: A test for the Ne-O2 systems.

F.A. Gianturco, G. Delgado-Barrio, O. Roncero and P. Villarreal
Mol. Phys., 71, (1990), 1405--1428

19.  Double continuum fragmentation in the vibrational predissociation of  X...BC(v)...Y --> BC (v' < v)+X+Y$ of vdw complexes: A perturbative treatment.

P. Villarreal, S. Mirét-Artés, O. Roncero, S. Serna, J. Campos-Martínez and G. Delgado-Barrio
J. Chem. Phys.,  93, (1990), 4016--4023

18. Photofragmentation of the Ne...ICl complex: A three--dimensional quantum mechanical study.

O. Roncero, J.A. Beswick, N. Halbertadt, P. Villarreal and G. Delgado-Barrio
J. Chem. Phys., 92, (1990),  3348--3358

17. Resonant states and photodiss. cross-section in protonated rare gases.  The NeH+ and ArH+systems.

F.A.Gianturco, M . Patriarca and O. Roncero
Molecular Physics, 90, (1989), 3823

16.  Decay of vibrational excited states of the Ne..Cl2 complex

N.Halberstadt, O. Roncero and J.A. Beswick
Chem. Phys.,  129, (1989), 83--92

15. Theoretical study of vibrational prediss. of  vdw complexes: The Ne.. Cl2 and Ne... ICl examples.

O. Roncero, J.A. Beswick, N. Halbertadt, P. Villarreal and G. Delgado-Barrio
Bull. Soc. Roy. Sciences de Liege, 5, (1989), 227.

14. Study of the electronic--to--vibrational energy transfer in the quenching process  Na*(32P) withN2(1S+g, v=0)$. A quantal close cpoupling calculation .

J. Campos-Martínez, O. Roncero, S. Mirét-Artés, P. Villarreal and G. Delgado-Barrio
J. Chem. Phys.,  91, (1989), 155--161

13. Study of the diffraction mediated selective adsorption through the coupled-channel and diabatic distorted wave formalisms. Application to the 4He-Cu(110).

M.I. Hernández, O. Roncero, S. Mirét-Artés, P. Villarreal and G. Delgado-Barrio
J. Chem.Phys., 90, (1989)  3823--3830

12.  Anharmonicity effects on the vibrational predissociation of the Ne-I2(B3 p+v' v) complex: A coupled channel infinite order sudden treatment.

O. Roncero, J. Campos-Martínez, A. Cortina, P. Villarreal and G. Delgado-Barrio
Chem. Phys. Lett., 148, (1988), 62--67

11. Energy levels and dynamics of vibrational predissociation of Ne-Cl2: Approx. quantum mechanical calculations.

P. Villarreal, G. Delgado-Barrio, J. Campos-Martínez and O. Roncero
J. Mol. Struct., 166, (1988), 325--333

10. Dynamical coupling and energy transfer in weakly bound molecular complexes.

F.A. Gianturco,  A. Palma, G. Delgado-Barrio, P. Villarreal and  O. Roncero
International Review Physical Chemistry, 7, (1988), 1--17

9. Some theoretical aspects of infrared molecular lasers pumped by electronic-to-vibrational energy transfer

J. Campos-Martínez, O. Roncero, S. Mirét-Artés, P. Villarreal and G. Delgado-Barrio
in “Atomic and molecular processes with short intense laser pulses.”
Editor:  A.D. Bandrauk; Plenum Press, New York 1987
NATO ASI Series B: 171 (1987) 461

8. Dissociations Dynamics of the Ar..H2 vdw complex.

P. Villarreal, G. Delgado-Barrio, O. Roncero, E. de Pablo and S. Mirét-Artés
in “Structure and Dynamics  of Weakly Bound Molecular  Complexes”
Editor: D. Reidel Publishing Co., Dordrecht 1987
NATO ASI Series C: 212 (1987) 583--592

7. Rotational predissociation of the Ne-HF complex: A study of its bound and quasi--bound levels.

S. Mirét-Artés,  O. Roncero, P. Villarreal and G. Delgado-Barrio
J. Phys. Chem. 91, (1987), 5623

6. Rotational prediss. dynamics in weakly bound molecular systems: The Ar-N2 and Ar-O2 examples.

F.A. Gianturco, G. Delgado-Barrio, O. Roncero and P. Villarreal
Int. J. Quantum Chem., 21, (1987)  389--405

5. Rotational predissociation of (rare gas atom)--(slow rotating diatomic molecule) complexes.

P. Villarreal, G. Delgado-Barrio, O. Roncero, F.A. Gianturco and A. Palma
J. Chem. Phys.,  87, (1987),  1054

 4. Rotational predissociation of strongly anisotropic vdw complexes: The He...CO example.

P. Villarreal, G. Delgado-Barrio, O. Roncero, F.A. Gianturco and A. Palma
Phys. Rev. A,  36, (1987),  617--625

3. Application of a diabatic rotational distorted wave approx. to the study of X...H2 (X=He, Ne, Ar) vdw molecules.

O. Roncero, S. Mirét-Artés, G. Delgado-Barrio and  P. Villarreal
J. Chem. Phys., 85, (1986),  2084--2088

2. Study of bound and quasibound levels of Ne, He..H2 using a rotational distorted-wave approx..

O. Roncero, P. Villarreal and G. Delgado-Barrio and S. Mirét-Artés
J. Mol. Struct.,  142, (1986),509--512

1. Applications of an adiabatic rotational model to the Ar... O2 vdw molecule.

C. Serrano, O. Roncero, P. Mareca, P. Villarreal and G. Delgado-Barrio
Chem. Phys., 92 , (1985), 155-162