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231223s2008 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.2291
|2 doi
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|a pubmed25n0605.xml
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|a eng
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|a Rusakov, Yury Yu
|e verfasserin
|4 aut
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|a Divinyl selenide
|b conformational study and stereochemical behavior of its 77Se-1H spin-spin coupling constants
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|c 2008
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|a Text
|b txt
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 27.10.2008
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|a Date Revised 21.11.2013
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|a published: Print
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|a Citation Status MEDLINE
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|a Copyright (c) 2008 John Wiley & Sons, Ltd.
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|a Theoretical energy-based conformational analysis of divinyl selenide performed at the MP2/6-311G** level is substantiated by the second-order polarization propagator approach (SOPPA) calculations and experimental measurements of its (77)Se-(1)H spin-spin coupling constants, demonstrating marked stereochemical behavior in respect of the internal rotation of both vinyl groups around the Se-C bonds. Based on these data, divinyl selenide is shown to exist in an equilibrium mixture of three nonplanar conformers: one the preferred syn-s-cis-s-trans and two minor anti-s-trans-s-trans and syn-s-trans-s-trans forms
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Isotopes
|2 NLM
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|a Organoselenium Compounds
|2 NLM
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|a Protons
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|a Selenium
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|a H6241UJ22B
|2 NLM
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|a Krivdin, Leonid B
|e verfasserin
|4 aut
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|a Istomina, Natalia V
|e verfasserin
|4 aut
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|a Potapov, Vladimir A
|e verfasserin
|4 aut
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|a Amosova, Svetlana V
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 46(2008), 10 vom: 01. Okt., Seite 979-85
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnas
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| 773 |
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|g volume:46
|g year:2008
|g number:10
|g day:01
|g month:10
|g pages:979-85
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|u http://dx.doi.org/10.1002/mrc.2291
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