EMILIO
MARTINEZ NUÑEZ
Catedrático de universidade
Publicacións nas que colabora con EMILIO MARTINEZ NUÑEZ (5)
2021
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AutoMeKin2021: An open-source program for automated reaction discovery
Journal of Computational Chemistry, Vol. 42, Núm. 28, pp. 2036-2048
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ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations
Journal of Chemical Theory and Computation, Vol. 17, Núm. 8, pp. 4901-4912
2014
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Recent applications of boxed molecular dynamics: A simple multiscale technique for atomistic simulations
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 372, Núm. 2021
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Unraveling the factors that control soft landing of small silyl ions on fluorinated self-assembled monolayers
Journal of Physical Chemistry C, Vol. 118, Núm. 19, pp. 10159-10169
2009
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Classical, quantum and statistical simulations of vibrationally excited HOSO
2
: IVR, dissociation, and implications for OH + SO
2
kinetics at high pressures
Physical Chemistry Chemical Physics, Vol. 11, Núm. 6, pp. 963-974