Matches in SemOpenAlex for { <https://semopenalex.org/work/W1993734694> ?p ?o ?g. }
Showing items 1 to 71 of
71
with 100 items per page.
- W1993734694 endingPage "9229" @default.
- W1993734694 startingPage "9207" @default.
- W1993734694 abstract "We determine the structural data of seven of the polymorphs of ice (ice Ih, ice Ic, ice IX, ice II, ice VI, ice VII and ice VIII) from ab initio calculations. The dynamical properties have been analysed within the harmonic approximation via a finite-difference evaluation of dynamical matrices from atomic forces. Supercells are used to model the various ordered and disordered phases considered. Calculations are done at zero pressure in order to compare directly with neutron scattering studies performed on recovered phases. The normal modes are resolved into projections chosen to display their intra- and inter-molecular character. Further projections are performed for ice VI, ice VII and ice VIII to probe the interactions between sub-lattices. Trends in the dynamical results are discussed in terms of changes in the structural complexity of the various phases considered." @default.
- W1993734694 created "2016-06-24" @default.
- W1993734694 creator A5055004452 @default.
- W1993734694 creator A5066961631 @default.
- W1993734694 date "2001-09-28" @default.
- W1993734694 modified "2023-10-14" @default.
- W1993734694 title "The dependence on structure of the projected vibrational density of states of various phases of ice as calculated by<i>ab initio</i>methods" @default.
- W1993734694 cites W1605815952 @default.
- W1993734694 cites W1965559477 @default.
- W1993734694 cites W1971442542 @default.
- W1993734694 cites W1972364516 @default.
- W1993734694 cites W1978966918 @default.
- W1993734694 cites W1979187842 @default.
- W1993734694 cites W1980621741 @default.
- W1993734694 cites W1982784128 @default.
- W1993734694 cites W1984504613 @default.
- W1993734694 cites W1988056492 @default.
- W1993734694 cites W1993848414 @default.
- W1993734694 cites W2005448369 @default.
- W1993734694 cites W2014068089 @default.
- W1993734694 cites W2024814018 @default.
- W1993734694 cites W2044546645 @default.
- W1993734694 cites W2057234711 @default.
- W1993734694 cites W2057982533 @default.
- W1993734694 cites W2059724489 @default.
- W1993734694 cites W2079483733 @default.
- W1993734694 cites W2081926166 @default.
- W1993734694 cites W2091399953 @default.
- W1993734694 cites W2093403510 @default.
- W1993734694 cites W2098432400 @default.
- W1993734694 doi "https://doi.org/10.1088/0953-8984/13/41/312" @default.
- W1993734694 hasPublicationYear "2001" @default.
- W1993734694 type Work @default.
- W1993734694 sameAs 1993734694 @default.
- W1993734694 citedByCount "14" @default.
- W1993734694 countsByYear W19937346942013 @default.
- W1993734694 countsByYear W19937346942019 @default.
- W1993734694 countsByYear W19937346942020 @default.
- W1993734694 countsByYear W19937346942023 @default.
- W1993734694 crossrefType "journal-article" @default.
- W1993734694 hasAuthorship W1993734694A5055004452 @default.
- W1993734694 hasAuthorship W1993734694A5066961631 @default.
- W1993734694 hasConcept C121332964 @default.
- W1993734694 hasConcept C121864883 @default.
- W1993734694 hasConcept C2781442258 @default.
- W1993734694 hasConcept C62520636 @default.
- W1993734694 hasConceptScore W1993734694C121332964 @default.
- W1993734694 hasConceptScore W1993734694C121864883 @default.
- W1993734694 hasConceptScore W1993734694C2781442258 @default.
- W1993734694 hasConceptScore W1993734694C62520636 @default.
- W1993734694 hasIssue "41" @default.
- W1993734694 hasLocation W19937346941 @default.
- W1993734694 hasOpenAccess W1993734694 @default.
- W1993734694 hasPrimaryLocation W19937346941 @default.
- W1993734694 hasRelatedWork W2271181815 @default.
- W1993734694 hasRelatedWork W2902782467 @default.
- W1993734694 hasRelatedWork W2935759653 @default.
- W1993734694 hasRelatedWork W3105167352 @default.
- W1993734694 hasRelatedWork W3148032049 @default.
- W1993734694 hasRelatedWork W54078636 @default.
- W1993734694 hasRelatedWork W1501425562 @default.
- W1993734694 hasRelatedWork W2298861036 @default.
- W1993734694 hasRelatedWork W2954470139 @default.
- W1993734694 hasRelatedWork W3084825885 @default.
- W1993734694 hasVolume "13" @default.
- W1993734694 isParatext "false" @default.
- W1993734694 isRetracted "false" @default.
- W1993734694 magId "1993734694" @default.
- W1993734694 workType "article" @default.