A Systematic ab initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54010176" target="_blank" >RIV/61388955:_____/01:54010176 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
A Systematic ab initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues.
Original language 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.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry. A
ISSN
0305-4470
e-ISSN
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Volume of the periodical
105
Issue of the periodical within the volume
34
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
8086-8092
UT code for WoS article
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EID of the result in the Scopus database
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