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DFT calculations of 1H chemical shifts, simulated and experimental NMR spectra for sarcosine

Z. Atieh Abdul-Rahman Allouche 1 A. Lazariev D. van Ormondt D. Graveron-Demilly 2 M. Aubert-Frécon 1
1 LASIM - Laboratoire de Spectrométrie Ionique et Moléculaire
2 CREATIS - Centre de Recherche et d'Application en Traitement de l'Image et du Signal
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https://hal.inria.fr/hal-01674015
Contributor : Abdulrahman Allouche <>
Submitted on : Monday, January 1, 2018 - 6:30:20 PM
Last modification on : Thursday, October 15, 2020 - 9:00:22 AM

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CNRS | LASIM | INSA-LYON | UNIV-LYON1 | CREATIS | INSA-GROUPE | UDL

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Z. Atieh, Abdul-Rahman Allouche, A. Lazariev, D. van Ormondt, D. Graveron-Demilly, et al.. DFT calculations of 1H chemical shifts, simulated and experimental NMR spectra for sarcosine. Chemical Physics Letters, Elsevier, 2010, 492 (4-6), pp.297 - 301. ⟨10.1016/j.cplett.2010.04.054⟩. ⟨hal-01674015⟩

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