About: A polarizable three-site water model with intramolecular polarizability     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
rdf:type
Description
  • The forgotten %22atom dipole interaction model%22 in which several induced dipoles in a molecule can interact is investigated. This model leads to an anisotropic (tensor) polarizability of a molecule using only isotropic (scalar) atomic contributions. A three-site model of water reproducing the experimental tensor polarizability is developed and tested using molecular dynamics calculations.
  • The forgotten %22atom dipole interaction model%22 in which several induced dipoles in a molecule can interact is investigated. This model leads to an anisotropic (tensor) polarizability of a molecule using only isotropic (scalar) atomic contributions. A three-site model of water reproducing the experimental tensor polarizability is developed and tested using molecular dynamics calculations. (en)
  • Studujeme zapomenutý %22interakční model atom-dipól,%22 v němž může interagovat několik indukovaných dipólů v jedné molekule. Tento model vede k anizotropní (tenzorové) polarizovatelnosti molekuly pomocí pouze izotropních (skalárních) příspěvků atomů. Třícentrový model vody, který reprodukuje experimentální tenzor polarizovatelnosti, je vyvinut a otestován výpočtem pomocí molekulární dynamiky. (cs)
Title
  • A polarizable three-site water model with intramolecular polarizability
  • Polarizovatelný třícentrový model vody s intramolekulární polarizovatelností (cs)
  • A polarizable three-site water model with intramolecular polarizability (en)
skos:prefLabel
  • A polarizable three-site water model with intramolecular polarizability
  • Polarizovatelný třícentrový model vody s intramolekulární polarizovatelností (cs)
  • A polarizable three-site water model with intramolecular polarizability (en)
skos:notation
  • RIV/60461373:22340/08:00020666!RIV09-MSM-22340___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA203/07/1006), P(LC512)
http://linked.open...iv/cisloPeriodika
  • 4
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 354401
http://linked.open...ai/riv/idVysledku
  • RIV/60461373:22340/08:00020666
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Polarizability; Water; Atom dipole interaction model; Tensor; Molecular dynamics. (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • CZ - Česká republika
http://linked.open...ontrolniKodProRIV
  • [82FDABC95BAE]
http://linked.open...i/riv/nazevZdroje
  • Collection of Czechoslovak Chemical Communications
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 73
http://linked.open...iv/tvurceVysledku
  • Kolafa, Jiří
http://linked.open...ain/vavai/riv/wos
  • 000256753400004
issn
  • 0010-0765
number of pages
http://localhost/t...ganizacniJednotka
  • 22340
is http://linked.open...avai/riv/vysledek of
Faceted Search & Find service v1.16.118 as of Jun 21 2024


Alternative Linked Data Documents: ODE     Content Formats:   [cxml] [csv]     RDF   [text] [turtle] [ld+json] [rdf+json] [rdf+xml]     ODATA   [atom+xml] [odata+json]     Microdata   [microdata+json] [html]    About   
This material is Open Knowledge   W3C Semantic Web Technology [RDF Data] Valid XHTML + RDFa
OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 47 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software