搜索结果: 1-14 共查到“物理化学 dynamics”相关记录14条 . 查询时间(0.585 秒)
Multi-nuclear NMR Studies of DNA Hairpins:1. Structure and Dynamics of d(CGCGTTGTTCGCG)
GERMANIUM DETERMINATION HYDRIDE GENERATION INDUCTIVELY COUPLED PLASMA EMISSION SPECTROMETRY MEDICINAL PLANT
2016/5/20
The solution structure of the hairpin formed by d(CGCGTTGTTCGCG) has been examined in detail by a wide variety of NMR techniques. The hairpin was characterized by proton NMR to obtain interproton dist...
Higher-order kinetic expansion of quantum dissipative dynamics: Mapping quantum networks to kinetic networks
Higher-order kinetic expansion quantum dissipative dynamics Mapping quantum networks kinetic networks
2014/9/24
We apply a new formalism to derive the higher-order quantum kinetic expansion (QKE) for studying dissipative dynamics in a general quantum network coupled with an arbitrary thermal bath. The dynamics ...
On the Scaling of Langevin and Molecular Dynamics Persistence Times of Non-Homogeneous Fluids
Molecular Dynamics Langevin Equation Diffusion constant Mean Exit Time mean first passage time persistence probability
2011/8/18
Abstract: The solution of the Langevin equation of an anisotropic fluid [Colmenares P. J; L\'opez F. and Olivares-Rivas W., Phys. Rev E. 2009, 80061123] allowed the evaluation of the position dependen...
Buckled nano rod - a two state system: quantum effects on its dynamics
Buckled nano rod quantum effects its dynamics Chemical Physics
2011/10/8
Abstract: We consider a suspended elastic rod under longitudinal compression. The compression can be used to adjust potential energy for transverse displacements from harmonic to double well regime. T...
Atomistic Molecular Dynamics Simulations of Shock Compressed Quartz
Shock wave Molecular Dynamics BKS potential Quartz
2011/8/4
Abstract: Atomistic non-equilibrium molecular dynamics (NEMD) simulations of shock wave compression of quartz have been performed using the so-called BKS semi-empirical potential of van Beest, Kramer ...
Dynamics of nonphotochemical superoxide production in the Great Barrier Reef lagoon
Dynamics of nonphotochemical superoxide production the Great Barrier Reef lagoon
2014/4/17
Superoxide (O2-) and hydrogen peroxide (H2O2) concentrations ranging from 87 to 1120 pmol L-1 and 5 to 107 nmol L-1, respectively, were measured in samples of surface water from the Great Barrier Reef...
Climate-related variations in mixing dynamics in an Alaskan arctic lake
Climate-related variations mixing dynamics Alaskan arctic lake
2014/4/17
Mean epilimnetic temperatures from mid-June through mid-August in a small, arctic kettle lake had no trend from 1975 to 2008 and varied annually up to ±3°C relative to the mean. Analysis of data from ...
Growth and photoregulation dynamics of the picoeukaryote Pelagomonas calceolata in fluctuating light
Growth and photoregulation dynamics picoeukaryote Pelagomonas calceolata fluctuating light
2014/4/18
Growth, photosynthesis, and photoacclimation properties of batch cultures of Pelagomonas calceolata (Pelagophyceae) were compared for 1 week under three different fluctuating light regimes with the sa...
A semiclassical study of wave packet dynamics in anharmonic potentials
A semiclassical wave packet dynamics anharmonic potentials
2014/9/24
Classical and semiclassical methods are developed to calculate and invert the wave packet motion measured in pump-probe experiments. With classical propagation of the Wigner distribution of the initia...
The reorientational relaxation of molecular systems is important in many phenomenon and applications. In this paper, we explore the reorientational relaxation of a model Brownian rotor lattice system ...
Molecular Dynamics Simulation of Phase Transitions in Binary LJ Clusters
Molecular Dynamics Simulation Phase Transitions Binary LJ Clusters
2010/4/22
Molecular Dynamics Simulation of Phase Transitions in Binary LJ Clusters.
Adiabatic path integral molecular dynamics methods. II. Algorithms
Adiabatic path integral molecular dynamics methods Algorithms
2014/9/24
Efficient numerical algorithms are developed for use with two finite temperature semiclassical approximations to quantum dynamics both of which require trajectories generated on potentials of mean for...
The formulation of quantum statistical mechanics based on the Feynman path centroid density. IV. Algorithms for centroid molecular dynamics
quantum statistical mechanics Feynman path centroid density Algorithms for centroid molecular dynamics
2014/9/24
Numerical algorithms are developed for the centroid molecular dynamics (centroid MD) method to calculate dynamical time correlation functions for general many-body quantum systems. Approaches based on...
The formulation of quantum statistical mechanics based on the Feynman path centroid density. III. Phase space formalism and analysis of centroid molecular dynamics
quantum statistical mechanics Feynman path centroid density Phase space formalist analysis of centroid molecular dynamics
2014/9/24
The formulation of quantum statistical mechanics based on the path centroid variable in Feynman path integration is generalized to a phase space perspective, thereby including the momentum as an indep...