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231224s2014 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.4042
|2 doi
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|a pubmed24n0782.xml
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|e rakwb
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|a eng
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1 |
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|a Makulski, Włodzimierz
|e verfasserin
|4 aut
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|a 17O and 33S nuclear magnetic shielding of sulfur trioxides from the experimental measurements and theoretical calculations
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|c 2014
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 07.10.2014
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|a Date Revised 19.11.2015
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Copyright © 2014 John Wiley & Sons, Ltd.
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|a In a recent (17)O NMR spectra of liquid sulfur trioxide, several unexpected peaks appeared with the temperature-dependent integrated peak ratio. In order to interpret NMR spectra and assign peaks to possible molecular structures, the theoretical quantum mechanical density functional theory and Møller-Plesset second-order perturbation theory calculations were performed. It is suggested that in the liquid sulfur trioxide, apart from monomeric SO3, a significant amount of (SO3)3 cyclic trimers should appear. No theoretical data support hypothesis on (SO3)2 dimers formation
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a 17O and 33S
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|a NMR spectra
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|a ab initio shielding calculations
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|a sulfur oxides
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|a Oxygen Isotopes
|2 NLM
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|a Sulfur Isotopes
|2 NLM
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|a Sulfur Oxides
|2 NLM
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|a sulfur trioxide
|2 NLM
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|a HH2O7V4LYD
|2 NLM
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1 |
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|a Tulewicz, Adam
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|4 aut
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|a Leś, Andrzej
|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 52(2014), 3 vom: 10. März, Seite 106-10
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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|g volume:52
|g year:2014
|g number:3
|g day:10
|g month:03
|g pages:106-10
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|u http://dx.doi.org/10.1002/mrc.4042
|3 Volltext
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