Browsing ODA Open Digital Archive by Author "Balcells, David"
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Conformational complexity of morphine and morphinum in the gas phase and in water. A DFT and MP2 study
Møllendal, Harald; Balcells, David; Eisenstein, Odile; Syversen, Linda; Suissa, Michal Rachel (RSC Advances;4(47), Journal article; Peer reviewed, 2014-05-23)The structural and conformational properties of morphine and protonated morphine (morphinum) in the gas phase and in water solution have been explored with quantum calculations. Fully optimized calculations using the cc-pVTZ ...