https://bc-2059antagonist.com/....electric-powered-eel
In certain, in silico approaches are relevant to calculate theoretical CCS values, is in comparison to experimental ones. A recently published CCS database for 300 steroids allowed someone to observe experimentally significant deviations for the expected CCS versus m/z correlations for a few compounds. The current work tries to rationalize such deviations with Density practical Theory (DFT) calculations. MN15/6-311++G(d,p) investigations are completed, starting with a conformational analysis of a sam
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