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Freezing of simple liquid metals
 JOURNAL OF NONCRYSTALLINE SOLIDS
, 1999
"... Freezing of simple liquid metals and the relative stabilities of competing crystalline solids are investigated using thermodynamic perturbation theory, the interactions between ions being modeled by effective pair potentials derived from pseudopotential theory. The ionic free energy of the solid pha ..."
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Freezing of simple liquid metals and the relative stabilities of competing crystalline solids are investigated using thermodynamic perturbation theory, the interactions between ions being modeled by effective pair potentials derived from pseudopotential theory. The ionic free energy of the solid
Freezing of Simple Liquid Metals
, 1999
"... Freezing of simple liquid metals and the relative stabilities of competing crystalline solids are investigated using thermodynamic perturbation theory, the interactions between ions being modeled by effective pair potentials derived from pseudopotential theory. The ionic free energy of the solid pha ..."
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Freezing of simple liquid metals and the relative stabilities of competing crystalline solids are investigated using thermodynamic perturbation theory, the interactions between ions being modeled by effective pair potentials derived from pseudopotential theory. The ionic free energy of the solid
Glassiness in Simple Liquids
, 710
"... In previous work the parameter of glassiness was introduced to distinguish between a liquid and a glass, using a formal analogy with the quantum Bose system. The glassiness is defined in such a way that it is unity in a frozen system and less than one in a liquid. In the present letter we revise fir ..."
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constant of an external probe and the viscosity are the main criteria for distinguishing the glassy state from a simple classical liquid [2,3]. Some years ago an analogy between a simple liquid and a Bose quantum system was used to suggest an equilibrium parameter, which distinguishes between a simple
Solvation of hydrophobes in water and simple liquids
, 2011
"... The solvation of nonpolar molecules in water and that in simple liquids are compared and contrasted. First, solvation thermodynamics is reviewed in a way that focuses on how the enthalpy and entropy of solvation depend on the choice of microscopic volume change v in the solvation process—including s ..."
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The solvation of nonpolar molecules in water and that in simple liquids are compared and contrasted. First, solvation thermodynamics is reviewed in a way that focuses on how the enthalpy and entropy of solvation depend on the choice of microscopic volume change v in the solvation process
Theory of collective excitations in simple liquids
"... Abstract. We present a parameterfree theory of the collective excitations in simple liquids such as liquid metals or rare gases. The theory is based on the modecoupling theory (MCT), which has been previously applied successfully for explaining the liquidto glass transition. The only input is the ..."
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Abstract. We present a parameterfree theory of the collective excitations in simple liquids such as liquid metals or rare gases. The theory is based on the modecoupling theory (MCT), which has been previously applied successfully for explaining the liquidto glass transition. The only input
Stable isotope labeling by amino acids in cell culture, SILAC, as a simple and accurate approach to expression proteomics
 Mol. Cell. Proteomics
, 2002
"... The abbreviations used are: SILAC: Stable isotope labeling by amino acids in cell culture, 2DE: two dimensional (isoelectric focusing/SDSPAGE) gel electrophoresis: ICATTM: isotopecoded affinity tag; MS: mass spectrometry; MALDITOF: matrix assisted laser desorption ionizationtime of flight; PMF: ..."
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Cited by 595 (23 self)
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: peptide mass fingerprinting; LCMS: liquid chromatographyMS; Copyright 2002 by The American Society for Biochemistry and Molecular Biology, Inc. Quantitative proteomics has traditionally been performed by 2D gel electrophoresis but recently, mass spectrometric methods based on stable isotope quantitation
Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of nalkanes
 J. Comput. Phys
, 1977
"... A numerical algorithm integrating the 3N Cartesian equations of motion of a system of N points subject to holonomic constraints is formulated. The relations of constraint remain perfectly fulfilled at each step of the trajectory despite the approximate character of numerical integration. The method ..."
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Cited by 704 (6 self)
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(MD), which has been widely used in the past for studying simple liquids and solids, has more recently been applied to molecular systems with internal degrees of freedom such as N, [l], H,O [2] and even C,H,, [3]. In applying the MD method three problems arise: (a) the choice of a suitable mechanical
Static structure factor for simple liquid metals
"... The structure factors S k for simple liquid metals are calculated using a model ¯ uid composed of hard spheres of Yukawatype in the mean spherical approximation. The solution of the Ornstein ± Zernike equation for the direct correlation function is exact and the analytic expressions are obtained f ..."
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The structure factors S k for simple liquid metals are calculated using a model ¯ uid composed of hard spheres of Yukawatype in the mean spherical approximation. The solution of the Ornstein ± Zernike equation for the direct correlation function is exact and the analytic expressions are obtained
0Thermodynamic Perturbation Theory of Simple Liquids
"... This chapter is an introduction to the thermodynamics of systems, based on the correlation function formalism, which has been established to determine the thermodynamic properties of simple liquids. The article begins with a preamble describing few general aspects of the liquid state, among others t ..."
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This chapter is an introduction to the thermodynamics of systems, based on the correlation function formalism, which has been established to determine the thermodynamic properties of simple liquids. The article begins with a preamble describing few general aspects of the liquid state, among others
Collective dynamics of simple liquids: A modecoupling
, 2007
"... We use the modecoupling theory (MCT), which has been highly successful in accounting for the anomalous relaxation behaviour near the liquidtoglass transition, for describing the dynamics of monatomic (i.e. simple) liquids away from the glass formation regime. We find that the dynamical structure ..."
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We use the modecoupling theory (MCT), which has been highly successful in accounting for the anomalous relaxation behaviour near the liquidtoglass transition, for describing the dynamics of monatomic (i.e. simple) liquids away from the glass formation regime. We find that the dynamical structure
Results 1  10
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210,006