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"Coherent States/Density
Functional Theory Approach to Molecular Dynamics"
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"A Theoretical Investigation on The Ti(H2O)n0,+1 ( n = 1 - 5 ) Clusters by Density Functional Theory Methods", Ju-Guang Han and J. A. Morales, Chemical Physics 323, 249-258 (2006)
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"Coherent-States
Dynamics of the H+
+ C2H2
Reaction at ELab =
30 eV: A Complete Electron Nuclear Dynamics Investigation"
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"Grid
Implementation of The Electron Nuclear Dynamics Theory: A
Coherent-States Chemistry", K. Tsereteli, S. Addepalli, J.
Perez and J. A. Morales,
Concurring Engineering Research and Applications: Next Generation
Concurrent Engineering, ISPE, inc. 469-472, (2005).
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"A Theoretical Investigation on The Cr(H2O)n0,+1 ( n = 1 - 4 ) Clusters by Density Functional Theory Methods", Ju-Guang Han and J. A. Morales, Journal of Molecular Structure (Theochem) 756, 55-61 (2005).
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"A
Theoretical Investigation on
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"The Onset of Dissociation in The Aqueous LiOH
Clusters: A Solvation Study with the Effective Fragment Potential Model
and Quantum Mechanics Methods", A. Yoshikawa and J. A. Morales,
Journal of Molecular Structure (Theochem) 681, 27 (2004).
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| "New
Approach to
Reactive Potentials with Fluctuating Charges: Quadratic Valence-Bond
Model", J. A. Morales and T. J. Martinez, Journal
of Physical Chemistry A 108, 3076 (2004)
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| "A Computational
Study on CuN0, ±1
( n = 1 - 4 ) by Density Functional Methods ",
J. G. Han ,
L. Sheng and J. A. Morales, Chemical Physics 294 (2),
211 (2003)
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| "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,
Journal of Molecular Structure (Theochem) 625 (1-3), 47 (2003).
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| "Classical Fluctuating Charge
Theories: The Maximum Entropy Valence Bond Formalism and Relationships
to Previous Models", J. A. Morales and T. J. Martínez,
Journal of Physical Chemistry A 105, 2842 (2001).
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| "On The Rotational Coherent State in Molecular Quantum
Dynamics", J. A. Morales, E. Deumens and Y. Öhrn, Journal
of Mathematical Physics 40(2), 766 (1999).
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| "Electron Nuclear Dynamics of H+
+
H2O", M.
Hedström, J. A. Morales, E. Deumens and Y. Öhrn, Chemical Physics
Letters 279, 241 (1997).
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| "Electron Nuclear Dynamics of Proton with Methane at 30 eV", D.
Jaquemin, J. A. Morales, E. Deumens and Y. Öhrn, Journal
of Chemical Physics 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).
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| "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).
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| "Electron Nuclear Dynamics of H+
+ H2 Collisions at ELab
= 30 eV", J. A.
Morales, A. Diz, E. Deumens and Y. Öhrn, Journal of Chemical
Physics 103,
9968 (1995).
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| "Molecular Vibration State Distribution in Collisions",
J. A. Morales, A. Diz, E. Deumens and Y. Öhrn, Chemical Physics
Letters 233, 392
(1995).
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"Perturbation Theory without Functions for the Zeeman Effect in
Hydrogen", F. M. Fernandez and J. A. Morales, Physics Review A 46, 318 (1992).
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| "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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