Quantum Chemical NMR Spectroscopic Structural Analysis in Solution The Investigation of 3-Indoleacetic Acid Dimer Formation in Chloroform and DMSO Solution

par Da Silva, Haroldo C
Publié dans: Magnetic resonance in chemistry : MRC (2025)

The role of the basis set and the level of quantum mechanical theory in the prediction of the structure and reactivity of cisplatin

par Paschoal, Diego
Publié dans: Journal of computational chemistry (2012)

(1) H NMR analysis of O-methyl-inositol isomers a joint experimental and theoretical study

par De Almeida, Mauro V
Publié dans: Magnetic resonance in chemistry : MRC (2012)

DFT study of the full catalytic cycle for the propene hydroformylation catalyzed by a heterobimetallic HPt(SnCl3)(PH3)2 model catalyst

par da Silva, Júlio C S
Publié dans: Journal of computational chemistry (2010)