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231223s2007 xx ||||| 00| ||eng c |
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|a pubmed25n0564.xml
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|a (DE-627)NLM169297969
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|a (NLM)17394221
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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| 100 |
1 |
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|a Ma, Zhiru
|e verfasserin
|4 aut
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| 245 |
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|a Solid-state 13C NMR and quantum chemical investigation of metal diene complexes
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|c 2007
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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|a Band
|b nc
|2 rdacarrier
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|a Date Completed 30.07.2007
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|a Date Revised 16.11.2017
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|a published: Print
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|a Citation Status MEDLINE
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|a Copyright (c) 2007 John Wiley & Sons, Ltd.
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|a This paper presents novel measurements and calculations of the olefinic (13)C chemical shift tensor principal values in several metal diene complexes. The experimental values and the calculations show shifts as large as 70 ppm with respect to the values in the parent olefinic compounds. These shifts are highly anisotropic, with the largest ones observed in the less shielded principal components and the smallest ones in the most shielded principal components of the tensor. The orientations of the principal components of the tensors remain, within 10 degrees , at their directions in ethylene and other olefinic compounds. The calculations, performed using the GIAO method and the LanDZ pseudopotential basis set, show good agreement with the experiments, and were used to establish definite evidence for the existence of a Cl-bridge structure in the bicyclo[2.2.1]hepta-2,5-diene (BCHD)dichlororuthenium(II) polymer
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|a Journal Article
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|a Research Support, N.I.H., Extramural
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|a Research Support, Non-U.S. Gov't
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|a Research Support, U.S. Gov't, Non-P.H.S.
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|a Alkadienes
|2 NLM
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|a Carbon Isotopes
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|a Ligands
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|a Metals, Heavy
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|a Norbornanes
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|a Organometallic Compounds
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|a 1,5-cyclooctadiene
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|a 1E1VVD385Z
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|a Platinum
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|a 49DFR088MY
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|a Palladium
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|a 5TWQ1V240M
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|a Ruthenium
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|a 7UI0TKC3U5
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|a Molybdenum
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|a 81AH48963U
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|a 2,5-norbornadiene
|2 NLM
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|a W9ZTQ75ZUS
|2 NLM
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| 700 |
1 |
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|a Facelli, Julio C
|e verfasserin
|4 aut
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|a Pugmire, Ronald J
|e verfasserin
|4 aut
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|a Dunn, Brian C
|e verfasserin
|4 aut
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|a Turpin, Gregory C
|e verfasserin
|4 aut
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|a Eyring, Edward M
|e verfasserin
|4 aut
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|a Ernst, Richard D
|e verfasserin
|4 aut
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 45(2007), 5 vom: 15. Mai, Seite 393-400
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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| 773 |
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|g volume:45
|g year:2007
|g number:5
|g day:15
|g month:05
|g pages:393-400
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|d 45
|j 2007
|e 5
|b 15
|c 05
|h 393-400
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