Current concepts on thermal motion in liquids and the concepts of positive and negative hydration

1984 ◽  
Vol 25 (2) ◽  
pp. 215-219 ◽  
Author(s):  
Yu. P. Syrnikov
Keyword(s):  
Thermal Motion ◽  
Negative Hydration

AN X-RAY DIFFRACTION STUDY OF THE THERMAL MOTION OF ATOMS IN β-TIN

1980 ◽  
Vol 41 (C1) ◽  
pp. C1-145-C1-146 ◽  
Author(s):  
B. Greenberg ◽  
G. M. Rothberg
Keyword(s):  
Diffraction Study ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
X Ray

A study of thermal motion in hydrogen-bonded crystals

1959 ◽  
Vol 112 (1-6) ◽  
pp. 68-79 ◽  
Author(s):  
J. Monteath Robertson
Keyword(s):  
Thermal Motion ◽  
Hydrogen Bonded

scholarly journals Thermal Motion in Crystals and Molecules

Nature ◽  
1960 ◽  
Vol 188 (4748) ◽  
pp. 369-371
Author(s):  
G. E. BACON
Keyword(s):  
Thermal Motion

CH4 dissociation on Ni(111): a quantum dynamics study of lattice thermal motion

2015 ◽  
Vol 17 (38) ◽  
pp. 25499-25504 ◽  
Author(s):  
Xiangjian Shen ◽  
Zhaojun Zhang ◽  
Dong H. Zhang
Keyword(s):  
Quantum Dynamics ◽  
Metal Surfaces ◽  
Thermal Motion

Lattice thermal motion is of great importance because it has a significant effect on molecule activation on metal surfaces.

Possibility of studying thermal motion in polymer melts from the spectra of solid specimens

1972 ◽  
Vol 5 (2) ◽  
pp. 177-179
Author(s):  
I. A. Ar'ev ◽  
Yu. P. Egorov
Keyword(s):  
Polymer Melts ◽  
Thermal Motion

Study of local forms of thermal motion causing spin-lattice relaxation in polymers

1967 ◽  
Vol 9 (11) ◽  
pp. 2762-2771 ◽  
Author(s):  
G.P. Mikhailov ◽  
V.A. Shevelev
Keyword(s):  
Lattice Relaxation ◽  
Thermal Motion ◽  
Spin Lattice Relaxation ◽  
Spin Lattice

scholarly journals The general proof of certain fundamental equations in the theory of metallic conduction

1934 ◽  
Vol 144 (851) ◽  
pp. 101-117 ◽  
Keyword(s):  
Wave Equation ◽  
Periodic Potential ◽  
Thermal Motion ◽  
Electronic Conduction ◽  
Modern Theory ◽  
General Proof ◽  
Metallic Conduction ◽  
Fundamental Equations

In the modern theory of electronic conduction the electrons are considered, when the thermal motion of the lattice is neglected, as moving in a periodic potential with the property V ( x + la , y + ma , z + na ) = V ( x, y, z ). The wave equation for an electron in this field is { h 2/8π2 m ∇ 2 + E K - V} ψ K = 0. Block has shown that this equation has solutions of the form ψ K = e i K.R U K (R), where U K has the periodicity of the lattice.

Entangled ions in thermal motion

1999 ◽  
Author(s):  
Anders So̸rensen ◽  
Klaus Mo̸lmer
Keyword(s):  
Thermal Motion

scholarly journals Positively and Negatively Hydrated Counterions in Molecular Dynamics Simulations of DNA Double Helix

2020 ◽  
Vol 65 (6) ◽  
pp. 510
Author(s):  
S. Perepelytsya
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Double Helix ◽  
Dipole Moments ◽  
Hydration Shell ◽  
Minor Groove ◽  
Water Molecules ◽  
Negative Hydration ◽  
Dynamics Simulations ◽  
Dna Double Helix

The DNA double helix is a polyanionic macromolecule that is neutralized in water solutions by metal ions (counterions). The property of counterions to stabilize the water network (positive hydration) or to make it friable (negative hydration) is important in terms of the physical mechanisms of stabilization of the DNA double helix. In the present research, the effects of positive hydration of Na+ counterions and negative hydration of K+ and Cs+ counterions incorporated into the hydration shell of the DNA double helix have been studied using molecular dynamics simulations. The results have shown that the dynamics of the hydration shell of counterions depends on the region of the double helix: minor groove, major groove, and outside the macromolecule. The longest average residence time has been observed for water molecules contacting with the counterions localized in the minor groove of the double helix (about 50 ps for Na+ and lower than 10 ps for K+ and Cs+). The estimated potentials of the mean force for the hydration shells of counterions show that the water molecules are constrained too strongly, and the effect of negative hydration for K+ and Cs+ counterions has not been observed in the simulations. The analysis has shown that the effects of counterion hydration can be described more accurately with water models having lower dipole moments.

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