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Influence of the number of halogen substituents and their type on the electrostatic potential of TNB molecules
(Belgrade : Serbian Chemical Society, 2023)
It is known that positive potentials above the central regions of molecular surfaces are
indicators of the sensitivity towards detonation of molecules.[1] The higher the value is,
the more sensitive the molecule is ...
Theoretical study of the relationship between molecular geometry and strength of hydrogen bonds in acetylsalicylic acid
(Belgrade : Serbian Chemical Society, 2023)
Acetylsalicylic acid is a pharmaceutical drug well-known for its anti-inflammatory and
antipyretic effects, and it is commonly used for the treatment of pain and fever caused
by different diseases.[1] However, it is well ...