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Combined Effects from Solvation and Nuclear Quantum Fluctuations on Autoionization Mechanisms in Aqueous Clusters
(American Chemical Society, 2020-03)
Using path-integral molecular dynamics simulations, we examine isomerization paths involving collective proton transfers in [H2O]5 and [H2O]8 clusters under cryogenic conditions. We focused attention on combined effects ...
Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low temperatures
(American Institute Of Physics, 2013-10)
We use ring-polymer-molecular-dynamics (RPMD) techniques and the semi-empirical q-TIP4P/F water model to investigate the relationship between hydrogen bond connectivity and the charac- teristics of nuclear position ...
Nuclear Quantum Fluctuations In Ice I-h
(ROYAL SOC CHEMISTRYCAMBRIDGE, 2015)
Self-consistent quantum effects in the quark meson coupling model
(2002-11-01)
We derive the equation of state of nuclear matter for the quark-meson coupling model taking into account quantum fluctuations of the σ meson as well as vacuum polarization effects for the nucleons. This model incorporates ...
Self-consistent quantum effects in the quark meson coupling model
(2002-11-01)
We derive the equation of state of nuclear matter for the quark-meson coupling model taking into account quantum fluctuations of the σ meson as well as vacuum polarization effects for the nucleons. This model incorporates ...
Self-consistent quantum effects in the quark meson coupling model
(2002-01-01)
We derive the equation of state of nuclear matter for the quark-meson coupling model taking into account quantum fluctuations of the [Formula Presented] meson as well as vacuum polarization effects for the nucleons. This ...
Random fluctuations in nuclear reactors : stochastic point kinetics equations with two-energy groups
(Medellín - Colombia, 2022)
Surface Isotope Segregation as a Probe of Temperature in Water Nanoclusters
(American Chemical Society, 2014-06)
Using ring polymer molecular dynamics simulations, we examine equilibrium and dynamical characteristics of solid-like, aqueous clusters that combine isotopic mixtures of HDO dilute in H2O, at temperatures intermediate ...
Nuclear quantum effects on the hydrogen bond donor-acceptor exchange in water-water and water-methanol dimers
(American Institute of Physics, 2020-07)
We present results from path integral molecular dynamics simulations that describe effects from the explicit incorporation of nuclear quantum fluctuations on the topology of the free energy associated with the geared ...