About: Charge density study of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate.

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About: Charge density study of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The crystal structure and charge denstity distribution of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate have been determined by means of single crystal X-ray diffraction. Structure determination revealed that two O atoms in the crystal structure act as hydrogen-bond acceptors for more than one hydrogen bond. Examination of deformation electron density maps showed preferential polarization of the lone-pair electron density of the two O atoms into the shortest hydrogen bonds. The crystal structure and charge denstity distribution of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate have been determined by means of single crystal X-ray diffraction. Structure determination revealed that two O atoms in the crystal structure act as hydrogen-bond acceptors for more than one hydrogen bond. Examination of deformation electron density maps showed preferential polarization of the lone-pair electron density of the two O atoms into the shortest hydrogen bonds. (en)
Title	Charge density study of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate. Charge density study of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate. (en)
skos:prefLabel	Charge density study of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate. Charge density study of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate. (en)
skos:notation	RIV/61389013:_____/02:55023043!RIV/2003/GA0/A55003/N
http://linked.open.../vavai/riv/strany	519;529
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/99/M037), P(KSK4050111), Z(AV0Z1010914), Z(AV0Z4050913), Z(AV0Z4055905), Z(MSM 113100001)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Šlouf, Miroslav
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav makromolekulární chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	640711
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/02:55023043
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	X-ray diffraction; charge density study; multipole refinement (en)
http://linked.open.../riv/klicoveSlovo	X-ray diffraction charge density study multipole refinement
http://linked.open...odStatuVydavatele	DK - Dánské království
http://linked.open...ontrolniKodProRIV	[8096C9C669D6]
http://linked.open...i/riv/nazevZdroje	Acta Crystallographica B. Structural Science
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Goal-oriented preparation of chemical compounds with well-defined properties Centre of molecular and crystal structures
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	58
http://linked.open...iv/tvurceVysledku	Císařová, I. Holý, Antonín Petříček, Václav Šlouf, Miroslav
http://linked.open...n/vavai/riv/zamer	Cílená syntéza a studium chemických, fyzikálně-chemických a fyzikálních vlastností makromolekulárních a nadmolekulárních látek a soustav pro vyspělé technologie Experimentální a teoretický výzkum kondenzovaných systémů s význačnými fyzikálními vlastnostmi http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20113100001 Chemical principles of selected biological phenomena in medicine and ecology
issn	0108-7681
number of pages	58 (xsd:int)

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