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Calculation of molecular geometry with the PCILO-Method

✍ Scribed by Jacqueline Langlet; Hans Meer

Publisher
Springer
Year
1971
Tongue
English
Weight
144 KB
Volume
21
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Crystal calculation using the PCILO meth
Crystal calculation using the PCILO method
✍ R. Lochmann πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 275 KB

## Abstract The PCILO method is used for the study of molecular systems with translational symmetry in a two‐dimensional lattice. The calculation for the whole crystal is reduced to the calculation of unit cell pairs. By using the translational symmetry and the first‐neighbour approximation, one sh

Calculation of periodic molecular system
Calculation of periodic molecular systems with perturbed periodicity within the PCILO framework. I. Method
✍ R. Lochmann; Th. Weller πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 263 KB

## Abstract A method within the PCILO framework for the study of periodic molecular systems involving impurities is described regarding a one‐dimensional chain. The calculation of the whole system is reduced to the calculation of subsystem pairs only. By use of the first‐neighbor approximation only