![Sample our Mathematics & Statistics journals, sign in here to start your FREE access for 14 days]({"type":"image" , "src" : "/sda/5943/TOC-Subject-Sample-2021-Mathematics-Statistics.jpg"})
Ab initio nuclear magnetic shielding surfaces were obtained for all nuclei for CH3F, CH3Cl and CH3Br in terms of curvilinear coordinates using an SCF-CHF/LORG procedure and moderately large basis sets to overcome the gauge dependence problem. The shielding surfaces for C, F, Cl and Br are complete up to second order and can be employed to calculate isotope and temperature effects in CH3X molecules, X = F, Cl, Br.
Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?
To request a reprint or corporate permissions for this article, please click on the relevant link below:
Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?
Obtain permissions instantly via Rightslink by clicking on the button below:
If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.
