Ab initio 13C and 19F NMR chemical shifts calculations for halogenated propanes
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Environmental Chemistry,Biochemistry
Reference7 articles.
1. Ab initio chemical shifts calculations for halogenated ethanes and propanes
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4. 13C NMR Spectroscopic and Density Functional Theory (DFT), ab Initio, and IGLO Theoretical Study of Protonated Cycloalkylcarboxylic Acids (Carboxonium Ions) and Their Acyl Cations (Oxocarbenium Ions)
5. Preparation, NMR Spectroscopic, and ab Initio/DFT/GIAO-MP2 Studies of Halomethyl Cations1
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1. Sensitivity of ab Initio vs Empirical Methods in Computing Structural Effects on NMR Chemical Shifts for the Example of Peptides;Journal of Chemical Theory and Computation;2013-12-17
2. Computational 19F NMR. 1. General features;Theoretical Chemistry Accounts;2012-02-15
3. Computational 19F NMR. 1. General features;Vincenzo Barone;2012-02-15
4. Ab Initio calculation of 19F NMR chemical shielding for alkaline-earth-metal fluorides;Chinese Journal of Chemistry;2010-08-26
5. A survey of wave function effects on theoretical calculation of gas phase 19F NMR chemical shifts using factorial design;Journal of Fluorine Chemistry;2010-01
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