About: Electronic structure and bonding in hydroxocobalamin

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Electronic structure and bonding in hydroxocobalamin 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)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The electronic structure of hydroxocobalamin (OHCbl) has been calculated by a density functional method, using the orthogonalized linear combination of the atomic orbitals method (OLCAO). The X-ray crystal structure has been determined from synchrotron X-ray diffraction data and the geometry determined was used in the calculations. Comparison with the recently reported electronic structures of cyanocobalamin (CNCbl), methylcobalamin (MeCbl) and adenosylcobalamin (AdoCbl) shows that Mulliken charges (Q) and bond orders (BO) vary only on the axial fragment. The electronic structure of hydroxocobalamin (OHCbl) has been calculated by a density functional method, using the orthogonalized linear combination of the atomic orbitals method (OLCAO). The X-ray crystal structure has been determined from synchrotron X-ray diffraction data and the geometry determined was used in the calculations. Comparison with the recently reported electronic structures of cyanocobalamin (CNCbl), methylcobalamin (MeCbl) and adenosylcobalamin (AdoCbl) shows that Mulliken charges (Q) and bond orders (BO) vary only on the axial fragment. (en)
Title	Electronic structure and bonding in hydroxocobalamin Electronic structure and bonding in hydroxocobalamin (en)
skos:prefLabel	Electronic structure and bonding in hydroxocobalamin Electronic structure and bonding in hydroxocobalamin (en)
skos:notation	RIV/61389013:_____/05:00340249!RIV10-AV0-61389013
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika	7
http://linked.open...vai/riv/dodaniDat	2010
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	520001
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/05:00340249
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	hydroxocobalamin; density functional theory; OLCAO (en)
http://linked.open.../riv/klicoveSlovo	hydroxocobalamin OLCAO density functional theory
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[5139D0F91EC8]
http://linked.open...i/riv/nazevZdroje	Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
http://linked.open...in/vavai/riv/obor	CD
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	61
http://linked.open...iv/tvurceVysledku	Šlouf, Miroslav Ching, W.-Y. Nardin, G. Ouyang, L. Randaccio, L. Rulis, P.
http://linked.open...ain/vavai/riv/wos	000228736000038
http://linked.open...n/vavai/riv/zamer	Progresivní makromolekulární materiály a supramolekulární systémy: syntéza a studium vlastností, jevů a možností využití pro speciální aplikace a moderní technologie
issn	1386-1425
number of pages	6 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Electronic structure and bonding in hydroxocobalamin

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

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, 58 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software