Titre | Solvent, isomers and vibrational effects in DFT calculations for the NMR spin-Hamiltonian parameters of alanine |
Publication Type | Conference Paper |
Authors | Atieh, Z, Allouche, AR, Aubert-Frecon, M, Graveron-Demilly, D |
Full Text |
Solvent, isomers and vibrational effects in DFT calculations for the NMR spin-Hamiltonian parameters of alanine