Predicting 13C NMR Spectra by DFT Calculations-Reference-Cited by-同舟云学术

Predicting 13C NMR Spectra by DFT Calculations

Published:2003-10-25 Issue:46 Volume:107 Page:9964-9973
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bagno Alessandro¹,Rastrelli Federico¹,Saielli Giacomo¹

Affiliation:

1. Dipartimento di Scienze Chimiche, Università di Padova, and Istituto per la Tecnologia delle Membrane del CNR, Sezione di Padova, via Marzolo, 1-35131 Padova, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0353284

Reference54 articles.

1. Kalinowski, H.; Berger, S.; Braun, S.13C NMR Spektroskopie; Georg Thieme Verlag: Stuttgart, Germany, 1984.

2. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

3. GIAO-DFT calculated and experimentally derived complexation-induced chemical shifts of calix[4]arene–solvent inclusion complexesElectronic supplementary information (ESI) available: calculated and observed NMR data and geometrical details for complexes 1–3, 1–4 and 1–5. See http://www.rsc.org/suppdata/p2/b1/b110078p/

4. Ab Initio ECP/DFT Calculation and Interpretation of Carbon and Oxygen NMR Chemical Shift Tensors in Transition-Metal Carbonyl Complexes

5. NMR Chemical Shifts. 3. A Comparison of Acetylene, Allene, and the Higher Cumulenes

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