¹H and ¹³C Chemical Shift--Structure Effects in Anhydrous β-Caffeine and Four Caffeine--Diacid Cocrystals Probed by Solid-State NMR Experiments and DFT Calculations

This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Debashis Majhi, Baltzar Stevensson, Tra Mi Nguyen, Mattias Ed én By using density functional theory (DFT) calculations, we refined the H atom positions in the structures of β-caffeine (C), α-oxalic acid (OA; (COOH)₂), α-(COOH)₂⋅2H₂O, β-malonic acid (MA), β-glutaric acid (GA),... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - April 9, 2024 Category: Chemistry Authors: Debashis Majhi Source Type: research