The temperature dependence of the structure of water

Autor:	John H. Root, P.A. Egelstaff
Rok vydání:	1983
Předmět:	Diffraction Molecular dynamics Chemistry Isochoric process Pair correlation Structure (category theory) General Physics and Astronomy Thermodynamics Neutron Physical and Theoretical Chemistry Structure factor
Zdroj:	Chemical Physics. 76:405-420
ISSN:	0301-0104
Popis:	We reanalyse the published X-ray diffraction data on water with the object of deducing the isochoric temperature derivative of the structure factor of H 2 O at 4°C and 1 atm. These results are compared to the published molecular dynamics results for the MCY potential. Similar (published) neutron-diffraction results are discussed. The effect of “hydrogen-bond formation” on neutron and X-ray pair correlation functions is discussed qualitatively and quantitatively. The probable structural effects of non-additive forces are deduced from the behaviour of these derivatives, and some comments on quantum effects are given.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::0955e6ad0472967836e21e069f524266 https://doi.org/10.1016/0301-0104(83)85222-7 Zobrazit plný text záznamu