Lattice energy applications

N ew Methods to Estimate Lattice Energies Application to the Relative StabiUties of Bisulfite (HSOJ) and Meta bisulfate (S2O5 ), H. D. B. Jenkins and D.Tudela, Journal of Chemical Education, SOtfl), 1482 (2003). 

Born-Haber cycle A thermodynamic cycle derived by application of Hess s law. Commonly used to calculate lattice energies of ionic solids and average bond energies of covalent compounds. E.g. NaCl ... 

Simple and more advanced calculations of lattice energies many applications. 

One of the most successful applications of crystal field theory to transition metal chemistry, and the one that heralded the re-discovery of the theory by Orgel in 1952, has been the rationalization of observed thermodynamic properties of transition metal ions. Examples include explanations of trends in heats of hydration and lattice energies of transition metal compounds. These and other thermodynamic properties which are influenced by crystal field stabilization energies, including ideal solid-solution behaviour and distribution coefficients of transition metals between coexisting phases, are described in this chapter. 

F. A. Momany, L. M. Carruthers, and H. A. Scheraga, J. Phys. Chem., 78, 1621 (1974). lntermolecular Potentials from Crystal Data. IV. Application of Empirical Potentials to the Packing Configurations and Lattice Energies in Crystals of Amino Acids. 

Historically, the application of computer modelling focused on reproducing known structures by employing interatomic potentials and minimising the lattice energy [14]. Next the focus of computational inorganic chemists turned to refin-... 

The lattice energy based on the Born model of a crystal is still frequently used in simulations [14]. Applications include defect formation and migration in ionic solids [44,45],phase transitions [46,47] and, in particular, crystal structure prediction whether in a systematic way [38] or from a SA or GA approach [ 1,48]. For modelling closest-packed ionic structures with interatomic force fields, typically only the total lattice energy (per unit cell) created by the two body potential,... 

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