About: A Systematic ab initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues.

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

About: A Systematic ab initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues. 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 hydration surface of four palladium square-planar complexes has been examined by advanced quantum-chemical calculations. Geometry optimizations were curried out using MP2 level of theory, utilizing 6-31G* basis set for H, N, O and Cl atoms. Pd was described with the Stuttgart relativistic pseudopotentials. Reaction surfaces were constructed utilizing MP4 evaluations with additional inclusion of diffuse functions. Results were compared with Pt analogous. The hydration surface of four palladium square-planar complexes has been examined by advanced quantum-chemical calculations. Geometry optimizations were curried out using MP2 level of theory, utilizing 6-31G* basis set for H, N, O and Cl atoms. Pd was described with the Stuttgart relativistic pseudopotentials. Reaction surfaces were constructed utilizing MP4 evaluations with additional inclusion of diffuse functions. Results were compared with Pt analogous. (en)
Title	A Systematic ab initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues. A Systematic ab initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues. (en)
skos:prefLabel	A Systematic ab initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues. A Systematic ab initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues. (en)
skos:notation	RIV/61388955:_____/01:54010176!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany	8086;8092
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4050702), P(LN00A032), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika	34
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Šponer, Jiří
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 fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	672364
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/01:54010176
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	palladium square-planar complexes; - platinum analogues; - ab initio (en)
http://linked.open.../riv/klicoveSlovo	- ab initio - platinum analogues palladium square-planar complexes
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[5EE7DB944BA8]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry. A
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of complex molecular systems and biomolecules Oxidation reactions of polyamides and low-milecular N-alkylamides
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	105
http://linked.open...iv/tvurceVysledku	Šponer, Jiří Leszczynski, J. Burda, J. V. Kapsa, V. Zeizinger, M.
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
issn	0305-4470
number of pages	6 (xsd:int)

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