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Full-Text Articles in Computational Chemistry
Unlocking The Secret To Weight Loss: Discovering The Most Effective Green Tea Products, Seoyeon Kim
Unlocking The Secret To Weight Loss: Discovering The Most Effective Green Tea Products, Seoyeon Kim
SACAD: John Heinrichs Scholarly and Creative Activity Days
To find the most effective green tea product that can replace
weight loss drugs, we compared the amount of catechin in six
different green tea products. The result was green tea latte
powder contained a significantly small amount of catechin
compared to other products, and the dried pearl green tea leaves
had the highest amount of catechin. Also, the unexpected result
was that green tea supplements had less amount of catechin
compared to dried leaves or even tea bags that are commonly
sold in markets.
N–((2–Acetylphenyl)Carbamothioyl)Benzamide: Synthesis, Crystal Structure Analysis, And Theoretical Studies, Akin Oztaslar, Hakan Arslan
N–((2–Acetylphenyl)Carbamothioyl)Benzamide: Synthesis, Crystal Structure Analysis, And Theoretical Studies, Akin Oztaslar, Hakan Arslan
Karbala International Journal of Modern Science
N–((2–Acetylphenyl)carbamothioyl)benzamide has been synthesized and characterized. The molecular conformation of the investigated compound is stabilized by C16–H16B⋅⋅⋅O2i (i: 1+x, y, z) intermolecular and C14–H14⋅⋅⋅S1, N2–H2⋅⋅⋅O2, and N2–H2⋅⋅⋅O1 intramolecular H–bonds. All DFT calculations have been implemented at the B3LYP level with the 6–311G(d,p) basis set. The optimized molecular structure parameters have been compared with the experimental one in the solid phase. The energy gap, global chemical reactivity descriptor parameters, MEP, Fukui functions, DoS, NLO, and NBO analysis were also computed and investigated. The intermolecular interactions and their energies are evaluated using Hirshfeld surface and energy framework analyses. To determine …