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Palladium(0) alkyne complexes as active species : a DFT investigation
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- Ahlquist, Mårten (author)
- KTH,Teoretisk kemi och biologi
- Fabrizi, G (author)
- Cacchi, S (author)
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- Royal Society of Chemistry (RSC), 2005
- 2005
- English.
- In: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1359-7345 .- 1364-548X. ; :33, s. 4196-4198
- Journal article (peer-reviewed)
Abstract
Subject headings
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- Alkynes have been found to be excellent ligands for Pd(0); the stability of a range of alkyne-Pd(0) complexes, and their reactivity in oxidative addition, have been investigated by DFT methods.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- DENSITY-FUNCTIONAL CALCULATIONS
- OXIDATIVE ADDITION
- DISUBSTITUTED ACETYLENES
- ARYL HALIDES
- HYDROVINYLATION
- SOLVATION
- NITROGEN
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- ref (subject category)
- art (subject category)
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- Ahlquist, Mårten
- Fabrizi, G
- Cacchi, S
- Norrby, Per-Ola
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- Royal Institute of Technology
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