Titlebook: Computer Modelling of Fluids Polymers and Solids; C. R. A. Catlow,S. C. Parker,M. P. Allen Book 1990 Kluwer Academic Publishers 1990 Poten

暗语

Effect Theory of the Technological Economy8]. A comprehensive knowledge of the effects of impurity level concentrations on behaviour is therefore of critical importance in the design and implementation of technologically important materials and processes. The advent and improvement of surface sensitive optical techniques such as AES, SEM an

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耕种

Obstruction

https://doi.org/10.1007/978-981-15-7281-4, and finally another magnesium silicate mineral which is believed to have the perovskite structure forms the bulk of the Lower Mantle. These assignments are not unambiguous however but recent work using X-ray diffraction techniques with high pressure diamond anvil cells [1] is making progress in el

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1389-2185 apters of the book are devoted mainly to techniques and the later ones to recent simulation studies of fluids, polymers (including biological molecules) and sol978-94-010-7621-0978-94-009-2484-0Series ISSN 1389-2185

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lambaste

夸张

The Path-Integral Simulation of Quantum Systems, and the radial distribution function. In the application of path-integral techniques to systems like liquid helium, the inclusion of quantum exchange is crucial, and we indicate how this can be achieved. We then illustrate the use of the technique by describing simulations that have been performed

Hectic

The Method of Constraints: Application to a Simple N-Alkane Model,tly illustrated for the trimer case (propane with two rigid bonds and a flexible angle). For long chain molecules, the need of an iterative technique which treats constraints individually in succession (SHAKE method) will particularly be emphasised. The paper ends with some considerations on the cou