✦ LIBER ✦

Some aspects of the calculation of lattice energies

✍ Scribed by M.W. Lister

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 676 KB
Volume: 8
Category: Article
ISSN: 0040-6031
DOI: 10.1016/0040-6031(74)85101-4

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Some aspects of the calculation of latti

Some aspects of the calculation of lattice energies. II

✍ M.W. Lister 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 384 KB

Some aspects of multiphase calculations

✍ Michael L. Michelsen 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 724 KB

Some practical aspects of free energy ca

Some practical aspects of free energy calculations from molecular dynamics simulation

✍ Sen, Srikanta; Nilsson, Lennart 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 211 KB 👁 3 views

In this work, we address two critical aspects of calculation of the free energy differences in molecular systems from molecular simulations. The first aspect involves checking whether the calculated free energy difference depends significantly on the extent of perturbation used for accomplishment of

Calculation of electrostatic energy of p

Calculation of electrostatic energy of planar lattices

✍ V.V. Avilov 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 274 KB

Calculation of lattice energies and enth

Calculation of lattice energies and enthalpies of formation of rare-earth pyrosilicates

✍ Michael H. O'Brien; Mufit Akinc 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 506 KB

Hydrogen impurity in aluminium: Calculat

Hydrogen impurity in aluminium: Calculation of the lattice relaxation energy

✍ F. Perrot; M. Rasolt 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 158 KB