Satisfactory solutions have been obtained for the phase transitions of alkali halides by employing the Born-Mayer model with the recently revised van der Waals coefficients. These new coefficients for the most part eliminate the use of high van der Waals term multiplicants K>1 as required earlier by Rao and co-workers when Mayer's coefficients were employed; there appears to be need for increased van der Waals terms in the Born-Mayer description of alkali halides
A simple model is proposed to explain the crystallographic properties of solid solutions of the alka...
The thermodynamic properties of the alkali halides are reviewed, presenting data supplementary to th...
Ions in ionic crystals are considered to exist in compressible space-filling polyhedral cells analog...
The Born-Mayer model with four repulsive parameters has been employed for the study of the pressure ...
Some energy aspects of the Pm3m-Fm3m transformation of CsCl have been studied quantitatively. Effect...
We have predicted the phase transition pressure in some alkali halides NaCl and KCl using an interat...
We have predicted the phase transition pressure in some alkali halides NaCl and KCl using an interat...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
A longstanding goal of computational chemistry is to predict the state of materials in all phases wi...
A longstanding goal of computational chemistry is to predict the state of materials in all phases wi...
We study the thermodynamics, mechanism, and kinetic aspects of the B1-B2 phase transition in alkali ...
The crystallization transitions and physical stability of model aqueous alkali halide solutions are...
The crystallization transitions and physical stability of model aqueous alkali halide solutions are...
A simple model is proposed to explain the crystallographic properties of solid solutions of the alka...
The thermodynamic properties of the alkali halides are reviewed, presenting data supplementary to th...
Ions in ionic crystals are considered to exist in compressible space-filling polyhedral cells analog...
The Born-Mayer model with four repulsive parameters has been employed for the study of the pressure ...
Some energy aspects of the Pm3m-Fm3m transformation of CsCl have been studied quantitatively. Effect...
We have predicted the phase transition pressure in some alkali halides NaCl and KCl using an interat...
We have predicted the phase transition pressure in some alkali halides NaCl and KCl using an interat...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
A longstanding goal of computational chemistry is to predict the state of materials in all phases wi...
A longstanding goal of computational chemistry is to predict the state of materials in all phases wi...
We study the thermodynamics, mechanism, and kinetic aspects of the B1-B2 phase transition in alkali ...
The crystallization transitions and physical stability of model aqueous alkali halide solutions are...
The crystallization transitions and physical stability of model aqueous alkali halide solutions are...
A simple model is proposed to explain the crystallographic properties of solid solutions of the alka...
The thermodynamic properties of the alkali halides are reviewed, presenting data supplementary to th...
Ions in ionic crystals are considered to exist in compressible space-filling polyhedral cells analog...