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Solvation of excess electrons in supercritical ammonia
(Amer Inst PhysicsMelvilleEUA, 2003)
Theoretical studies of concentrated aqueous urea solutions using computacional Monte Carlo simulation
(Soc Brasileira QuimicaSao PauloBrasil, 2002)
Clustering and fluidization in a one-dimensional granular system: molecular dynamics and direct-simulation monte carlo method
(AMERICAN PHYSICAL SOCIETY, 2001)
Statistical thermodynamics of liquids using the Monte Carlo method. II. Liquid chloroform.
(Soc Brasileira QuimicaSao PauloBrasil, 1999)
Structural analysis and adsorption sites of xylenes in AlPO4-5 and AlPO4-11 using molecular simulation
(Elsevier Science BvAmsterdamHolanda, 2006)
Steric constraints as folding coadjuvant
(2003-03-01)
Through the analyses of the Miyazawa-Jernigan matrix it has been shown that the hydrophobic effect generates the dominant driving force for protein folding. By using both lattice and off-lattice models, it is shown that ...
Steric constraints as folding coadjuvant
(2003-03-01)
Through the analyses of the Miyazawa-Jernigan matrix it has been shown that the hydrophobic effect generates the dominant driving force for protein folding. By using both lattice and off-lattice models, it is shown that ...
Studies of urea geometry by means of ab initio methods and computer simulations of liquids.
(Soc Brasileira QuimicaSao PauloBrasil, 2002)
Molecular dynamics and Monte Carlo simulations of the sputtering of a nanoporous solid
(Elsevier, 2013-06-01)
We calculate the sputtering induced on a nanoporous material by fast penetrating ions, such as those used for track formation and surface modification, in order to better understand and quantify the ejection and redeposition ...
Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
(Elsevier Science, 2006-02)
Theoretical simulations by a dynamic Monte Carlo method were carried out with respect to the catalytic reduction of NO by CO on the Pt(100) surface. This reaction, when occurring at low pressures and under certain reaction ...