Selected Publications

 

" A New Approach to Reactive Potentials with Fluctuating Charges, The Quadratic Valance Bond Model  ", J. A. Morales and T. J. Martinez (To Be Submitted to The Journal of Physical Chemistry)

 

"The Formation of New Silicon Cages: A Semiempirical Theoretical Investigation", J. G. Han, Z. Y. Ren, Z. F. Chen, L. S. Sheng, Y. W. Zhang, J. A. Morales and F. Hagellberg, J. Mol. Struct. 625 (1-3), 47 (2003) (Still in Press)

 

"Classical Fluctuating Charge Theories: The Maximum Entropy Valence Bond Formalism and Relationships to Previous Models", J. A. Morales and T. J. Martínez, J. Phys. Chem. 105, 2842 (2001).

 

"On The Rotational Coherent State in Molecular Quantum Dynamics", J. A. Morales, E. Deumens and Y. Öhrn, J. Math. Phys. 40(2), 766 (1999). 

 

"Electron Nuclear Dynamics of H+ + H2O", M. Hedström, J. A. Morales, E. Deumens and Y. Öhrn, Chem. Phys. Lett. 279, 241 (1997). 

 

"Electron Nuclear Dynamics of Proton with Methane at 30 eV", D. Jaquemin, J. A. Morales, E. Deumens and Y. Öhrn, J. Chem. Phys. 107, 6146 (1997).

 

Endyne: Electron Nuclear Dynamics Simulations, Manual for the Version 2 Release 8”, E. Deumens, T. Helgaker, A. Diz, H. Taylor, J. Oreiro, B. Mogensen, J. A. Morales, R. Longo and Y. Öhrn, Software Manual, Quantum Theory Project, University of Florida, Gainesville, Fl 32611 (1997).

 

"Vibrational Motion in Isotopomers of the HeH+ Molecular Ion; an Application of the Electron Nuclear Dynamics Method", G. Bergson, J. L. Calais, J. A. Morales and Y. Öhrn, International Journal of Quantum Chemistry 112 (63), 415 (1997).

 

"Electron Nuclear Dynamics of H+ + H2 Collisions at Elab = 30 eV", J. A. Morales, A. Diz, E. Deumens and Y. Öhrn, J. Chem. Phys. 103, 9968 (1995).

 

 "Molecular Vibration State Distribution in Collisions", J. A. Morales, A. Diz, E. Deumens and Y. Öhrn, Chemical Physics Letters 223, 392 (1995).

 

  "Perturbation Theory without Functions for the Zeeman Effect in Hydrogen", F. M. Fernandez and J. A. Morales, Physical Review A 46, 318 (1992).

 

 "Perturbation Theory for the Stark Effect in a Two-Dimensional Hydrogenlike Atom", F. M. Fernandez and J. A. Morales, Physics Letters A 165, 314 (1992).

 

 

 

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