[PDF][PDF] Theoretical prediction of pKa for amino acids and voltammetric behaviour of the interaction of paracetamol with alanine
KM Shahadha, AA Ibrahim - Inter. J. of Adv. Sci. and Tech, 2020 - academia.edu
The interaction of paracetamol medicine with alanine has been investigated using
electrochemical and quantum calculations. Square wave voltammetry (SWV) was applied to …
electrochemical and quantum calculations. Square wave voltammetry (SWV) was applied to …
Study The Effect of Factors on the Rate Constant (K) for Some Substituted Benzyl-amine Using Theoretical Calculations
AA Ibrahim, HA Younis, EA Sulliman… - IMDC-SDSP 2020 …, 2020 - books.google.com
The computational calculations methods are applied for the determination of some
benzylamine substituents. The logK at temperature 303K are used as dependent variables …
benzylamine substituents. The logK at temperature 303K are used as dependent variables …
Theoretical Calculations of pKa Values for Substituted Carboxylic Acid
AA Ibrahim, MK Hasan - NTU Journal of Pure Sciences, 2021 - ntu.libraryhost.com
Six different methods of determination have been used for studying ten derivatives of
carboxylic compounds. Semi-empirical (AM1 and PM3), Hartree Fock (HF/STO-3G and HF/3 …
carboxylic compounds. Semi-empirical (AM1 and PM3), Hartree Fock (HF/STO-3G and HF/3 …
Quantum Calculations of pKa values for Some Amine Compounds
A Ibrahim, S Daood, E Sulliman - Proceedings of the 1st International Multi …, 2020 - eudl.eu
The theoretical calculations methods DFT/STO-3G, DFT/6-31G, DFT/6-31G (d, p), HF/STO-
3G, HF/6-31G and HF/6-31G (d, p) are used to determination the physic-chemical …
3G, HF/6-31G and HF/6-31G (d, p) are used to determination the physic-chemical …