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THEORETICAL AND CHEMOMETRIC STUDY OF SUBSTITUTED OXAZINES
(Sociedad Chilena de Química, 2005)
ELECTROCHEMICAL BEHAVIOR OF 1,3-DITHIENYL AND DIFURYL PROPENONE DERIVATES: PART I
(Sociedad Chilena de Química, 2003)
Effective configurations in electron-molecule scattering
(American Physical SocCollege PkEUA, 2000)
Improved atomistic Monte Carlo models based on ab-initio -trained neural networks: Application to FeCu and FeCr alloys
(American Physical Society, 2017-06)
We significantly improve the physical models underlying atomistic Monte Carlo (MC) simulations, through the use of ab initio fitted high-dimensional neural network potentials (NNPs). In this way, we can incorporate energetics ...
Electron collisions with furan
(Amer Inst PhysicsMelvilleEUA, 2007)
Cálculos ab initio de la estructura electrónica del superconductor mgb2
(Revista Mexicana de Física, 2009)
Studies of urea geometry by means of ab initio methods and computer simulations of liquids.
(Soc Brasileira QuimicaSao PauloBrasil, 2002)