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231225s2021 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.26480
|2 doi
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|a pubmed24n1066.xml
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|a DE-627
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|e rakwb
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|a eng
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| 100 |
1 |
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|a Zhang, Lei
|e verfasserin
|4 aut
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| 245 |
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|a Rational design of the nickel-borane complex for efficient hydrogenation of styrene
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|c 2021
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
|b cr
|2 rdacarrier
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|a Date Revised 15.02.2021
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2021 Wiley Periodicals LLC.
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|a The Ni-B complex 1BCF with a facilely accessible monophosphine (Pt Bu3 ) unit was theoretically designed, which was found to be more active than that with an ambiphilic ligand for hydrogenation of styrene. Substituting Pt Bu3 with a stronger electron donating ligand N-heterocyclic carbene largely improves the activity of the Ni-B complex
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|a Journal Article
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|a H2 activation
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|a Ni-B complex
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4 |
|a density functional theory
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| 650 |
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4 |
|a monophosphine ligand
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| 700 |
1 |
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|a Zhu, Qin
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Gao, Liuzhou
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Yang, Linlin
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Li, Wei
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Li, Shuhua
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Zhu, Jun
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Wang, Wei
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Zeng, Guixiang
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 42(2021), 8 vom: 30. März, Seite 545-551
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
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| 773 |
1 |
8 |
|g volume:42
|g year:2021
|g number:8
|g day:30
|g month:03
|g pages:545-551
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|u http://dx.doi.org/10.1002/jcc.26480
|3 Volltext
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