3.1.3 Chemical shift calculation This kind of calculation using GAUSSIAN, CASTEP is now frequently performed for solids.155–159 With liquids an important difficulty is added: the configuration (nature and number of neighbours, distance, etc.) has to be known and it changes within the time of ...
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Consider these two examples that were heard during interviews with leading retailers: "Data underpins the majority of the push towards [better] monetizing customers directly and indirectly" "Use data and analysis when you can, and use intuition when you need to" Strive f...
Mass of reactants: 30.84 g of CH3COOH (99.8%) in 90 mL of water (the water solvent was excluded from this calculation), cigarette butts 2.5 g; total amount of reactants 30.84 g + 2.45 g = 33.29 g (considering that cigarette butts are composed of 98% of cellulose acetate). Mass of...
The quantity of organic waste generated by agricultural sectors is continually increasing due to population growth and rising food demand. Rice is the primary consumable food in Asia. However, many stakeholders follow a linear economic model such as the
The experimental analysis combined with DFT calculation reveals that the reaction occurs via a crucial Cβ radical intermediate, which enables the particular Cα−Cβ bond breakage during the subsequent radical/radical cross-coupling phase. According to the proposed mechanism, first, the tert-but...