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Materias / palabras clave: Thermodynamics; Chemical kinetics; Termodinámica; Cinética química

Materias / palabras clave: Mechanics; Physics; Thermodynamics; Física; Mecánica; Termodinámica

Materias / palabras clave: Special relativity (Physics); Mechanics; Thermodynamics; Relatividad especial; Mecánica; Termodinámica

Materias / palabras clave: Thermodynamics; Chemistry; Termodinámica; Química

The equation of motion of a system of 864 particles interacting through a Lennard-Jones potential has been integrated for various values of the temperature and density, relative, generally, to a fluid state. The equilibr...

The probability of a configuration is given in classical theory by the Boltzmann formula $\mathrm{exp}[\ensuremath{-}\frac{V}{\mathrm{hT}}]$ where $V$ is the potential energy of this configuration. For high temperatures ...

Materias / palabras clave: phase equilibria, equations of state, calorimetry, thermodynamics, mixtures, kinetics; Science: Physics: Heat: Thermodynamics

High entropy alloys (HEAs) are barely 12 years old. The field has stimulated new ideas and has inspired the exploration of the vast composition space offered by multi-principal element alloys (MPEAs). Here we present a c...

Classical Monte Carlo simulations have been carried out for liquid water in the NPT ensemble at 25 °C and 1 atm using six of the simpler intermolecular potential functions for the water dimer: Bernal–Fowler (BF), SPC,...

Recent extensions of the DMol3 local orbital density functional method for band structure calculations of insulating and metallic solids are described. Furthermore the method for calculating semilocal pseudopotential mat...

Share Icon Share Twitter Facebook Reddit LinkedIn Reprints and Permissions Cite Icon Cite Search Site Citation Robert C. Reid, Thomas K. Sherwood, Robert E. Street; The Properties of Gases and Liquids. Physics Today 1 Ap...

It is suggested that if Guttman’s latent-root-one lower bound estimate for the rank of a correlation matrix is accepted as a psychometric upper bound, following the proofs and arguments of Kaiser and Dickman, then the ...

Materias / palabras clave: Conceptualization; Organizational commitment; Psychology; Continuance; Social psychology; Function (biology); Component (thermodynamics); Obligation; Normative; Affective events theory; Job performance; Epistemology

Materias / palabras clave: Mechanics; Nanofluid; Pressure drop; Heat transfer; Baffle; Materials science; Reynolds number; Microchannel; Thermophoresis; Thermodynamics; Heat flux; Particle (ecology)

OBJECTIVES: This study attempts to develop a comprehensive set of comorbidity measures for use with large administrative inpatient datasets. METHODS: The study involved clinical and empirical review of comorbidity measur...

CHEC III is organized in 15 Volumes and closely follows the organization used in the previous edition: Volumes 1 and 2: Cover respectively three- and four-membered heterocycles, together with all fused systems containing...

Journal For Healthcare Quality: September 2002 - Volume 24 - Issue 5 - p 52 doi: 10.1111/j.1945-1474.2002.tb00463.x

Materias / palabras clave: Electronegativity; Density functional theory; Time-dependent density functional theory; Atom (system on chip); Functional theory; Orbital-free density functional theory; Molecule; Atoms in molecules; Density matrix; Comp...

Resilience may be viewed as a measure of stress coping ability and, as such, could be an important target of treatment in anxiety, depression, and stress reactions. We describe a new rating scale to assess resilience. Th...

Materias / palabras clave: Solubility; Drug discovery; Chemistry; Thermodynamics; Permeability (electromagnetism); Hildebrand solubility parameter; Permeation; Work (physics); Computational chemistry; Organic chemistry; Physics; Membrane

Phonon plays essential roles in dynamical behaviors and thermal properties, which are central topics in fundamental issues of materials science. The importance of first principles phonon calculations cannot be overly emp...

It is shown that the free energy of a volume V of an isotropic system of nonuniform composition or density is given by : NV∫V [f0(c)+κ(▿c)2]dV, where NV is the number of molecules per unit volume, ▿c the compositi...

Materias / palabras clave: Independent component analysis; Principal component analysis; Representation (politics); Computer science; Algorithm; Gaussian; Artificial intelligence; Projection (relational algebra); Pattern recognition (psychology); ...

The theory of the kinetics of phase change is developed with the experimentally supported assumptions that the new phase is nucleated by germ nuclei which already exist in the old phase, and whose number can be altered b...