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Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be6B11− Fluxional Cluster
(MDPI, 2020)
The starting point to understanding cluster properties is the putative global minimum and all the nearby local energy minima; however, locating them is computationally expensive and difficult. The relative populations and ...
Irreversible spherical model and its stationary entropy production rate
(Institute of Physics Publishing Ltd.Bristol, 2012)
The nonequilibrium stationary state of an irreversible spherical model is investigated on hypercubic lattices. The model is defined by Langevin equations similar to the reversible case, but with asymmetric transition rates. ...
Displacement currents in the node of Ranvier - Voltage and time dependence
(Springer-Verlag, 1975)
The time course of the membrane currents in the node of Ranvier in which the sodium and potassium conductances have been blocked reveals asymmetries during and after the application of depolarizing and hyperpolarizing ...
DM particles: how warm they can be?
(Iop Publishing Ltd, 2009-02-01)
One of important questions concerning particles which compose the Dark Matter (DM) is their average speed. We consider the model of relativistic weakly interacting massive particles and try to impose an upper bound on their ...
Study of relative stability of tautomeric forms of phenylbutazone and calculation of UV-Vis and ECD spectra
(Brazilian Chemical Soc, 2016-01-01)
In this work, a theoretical study was carried out to investigate the electronic structures of the deprotonated form of phenylbutazone. Considering a relaxed PES scan from three selected dihedral angles (delta(1), delta(2), ...
Charged Brownian particles: Kramers and Smoluchowski equations and the hydrothermodynamical picture
(2011-05-01)
We consider a charged Brownian gas under the influence of external and non-uniform electric, magnetic and mechanical fields, immersed in a non-uniform bath temperature. With the collision time as an expansion parameter, ...
Nonextensive statistical mechanics applied to protein folding problem: kinetics aspects
(Sociedade Brasileira de Física, 2009)
A reduced (stereo-chemical) model is employed to study kinetic aspects of globular protein folding process, by Monte Carlo simulation. Nonextensive statistical approach is used: transition probability p i j between ...
Study of the vertical transport in p-doped superlattices based on group III-V semiconductors
(2011-02)
The electrical conductivity σ has been calculated for p-doped GaAs/Al0.3Ga0.7As and cubic GaN/Al0.3Ga0.7N thin superlattices (SLs). The calculations are done within a self-consistent approach to the
k
...
Influence of fixed electric charges on potential profile across the squid axon membrane
(ELSEVIER SCIENCE BV, 2008)
The potential profile for a model of squid axon membrane has been determined for two physiological states: resting and action states. The non-linear Poisson-Boltzmann equation has been solved by considering the volumetric ...
Three-parameter soil-water transient equations in horizontal water-transport analysis
(Soil Sci Soc Amer, 1998-05-01)
For data obtained from horizontal soil column experiments, the determination of soil-water transport characteristics and functions would be aided by a single-form equation capable of objectively describing water content ...