Source:http://linkedlifedata.com/resource/pubmed/id/18959385
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
46
|
| pubmed:dateCreated |
2008-11-14
|
| pubmed:abstractText |
The high-resolution X-ray diffraction analysis and plane-wave density functional theory were applied to the investigation of charge density distribution in the donor-acceptor complex of AuCl with PPh3. The approach allows us to estimate the atomic charges, the charge transfer, the energy of weak interactions (Au...H, Au...C, H...Cl, etc.), and Au-P bond energy directly from the experimental data.
|
| pubmed:language |
eng
|
| pubmed:journal | |
| pubmed:citationSubset |
IM
|
| pubmed:chemical | |
| pubmed:status |
MEDLINE
|
| pubmed:month |
Nov
|
| pubmed:issn |
1520-5215
|
| pubmed:author | |
| pubmed:issnType |
Electronic
|
| pubmed:day |
20
|
| pubmed:volume |
112
|
| pubmed:owner |
NLM
|
| pubmed:authorsComplete |
Y
|
| pubmed:pagination |
11519-22
|
| pubmed:meshHeading | |
| pubmed:year |
2008
|
| pubmed:articleTitle |
Estimation of dissociation energy in donor-acceptor complex AuCl x PPh3 via topological analysis of the experimental electron density distribution function.
|
| pubmed:publicationType |
Letter,
Research Support, Non-U.S. Gov't
|