Browsing by Subject "Gas phase"
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Conformational complexity of morphine and morphinum in the gas phase and in water. A DFT and MP2 study (Royal Society of Chemistry, 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 ...