Add to ORKGWe have studied the total structure of molten AgCl at 1073 K by means of two polarizable ion models via molecular dynamics simulations. The model potentials consisted of either the Vashishta–Rahman (VR) or the Born–Mayer rigidion potentials to which the anion-induced polarization contribution is added. Both model potentials reproduce well the main features of the structure of molten AgCl with that using the VR model potential giving marginally better results
Molecular dynamics simulation studies were performed on four molten metal tribromides, MBr3, M = La,...
SIGLEAvailable from British Library Document Supply Centre- DSC:9091.9(TP--851) / BLDSC - British Li...
A simple ionic model including anion polarizability is developed for the Al2Cl6 molecular dimer and ...
We have studied the total structure of molten AgCl at 1073 K by means of two polarizable ion models ...
Three sets of molecular dynamics simulations have been carried out to study the static structure and...
Computer simulations of a range of molten salts of stoichiometry MX3 using a polarizable, formal cha...
The results are reported of the molecular dynamics simulations of the coherent static structure fact...
Molecular dynamics simulations of molten NaI at 995 K have been carried out using polarizable ion mo...
The results of the structural properties of molten copper chloride are reported from high-energy X-r...
A model of ionic interactions accounting for ionic polarizability through electrostatic and shell de...
The static structure of molten AgBr and AgCl have been calculated using the hypernetted chain theory...
The structure of molten NaCl is investigated by combining neutron and x-ray diffraction with molecul...
Metal trihalide (MX_3) systems represent a stern challenge in terms of constructing transferable pot...
A model of ionic interactions in neutral and ionized aluminium trichloride clusters, which accounts ...
Molecular dynamics (MD) simulation on molten and glass state of AgI-AgPO3 have been performed to inv...
Molecular dynamics simulation studies were performed on four molten metal tribromides, MBr3, M = La,...
SIGLEAvailable from British Library Document Supply Centre- DSC:9091.9(TP--851) / BLDSC - British Li...
A simple ionic model including anion polarizability is developed for the Al2Cl6 molecular dimer and ...
We have studied the total structure of molten AgCl at 1073 K by means of two polarizable ion models ...
Three sets of molecular dynamics simulations have been carried out to study the static structure and...
Computer simulations of a range of molten salts of stoichiometry MX3 using a polarizable, formal cha...
The results are reported of the molecular dynamics simulations of the coherent static structure fact...
Molecular dynamics simulations of molten NaI at 995 K have been carried out using polarizable ion mo...
The results of the structural properties of molten copper chloride are reported from high-energy X-r...
A model of ionic interactions accounting for ionic polarizability through electrostatic and shell de...
The static structure of molten AgBr and AgCl have been calculated using the hypernetted chain theory...
The structure of molten NaCl is investigated by combining neutron and x-ray diffraction with molecul...
Metal trihalide (MX_3) systems represent a stern challenge in terms of constructing transferable pot...
A model of ionic interactions in neutral and ionized aluminium trichloride clusters, which accounts ...
Molecular dynamics (MD) simulation on molten and glass state of AgI-AgPO3 have been performed to inv...
Molecular dynamics simulation studies were performed on four molten metal tribromides, MBr3, M = La,...
SIGLEAvailable from British Library Document Supply Centre- DSC:9091.9(TP--851) / BLDSC - British Li...
A simple ionic model including anion polarizability is developed for the Al2Cl6 molecular dimer and ...