Hamed Bahrami
Chemistry Department, University of Zanjan, Zanjan , Iran
[ 1 ] - Electron Ionization of Serine and Threonine: a Discussion about Peak Intensities
The present study describes the fragmentation under electron ionization (EI) of gas phase serine and threonine amino acids. Ab initio methods were performed to calculate the fragmentation paths and interpret the mass spectra. The six lowest energy conformers of L-serine, L-threonine and L-allo-threonine were obtained with B3LYP, G3MP2 and MP2 methods. The adiabatic and vertical ionizat...
[ 2 ] - Structural Investigation, Proton and Electron Affinities, Gas Phase Basicities, and Ionization Energies of Captopril
Captopril is one of the most significant angiotensin-converting enzyme inhibitors. In spite of numerous experimental and computational studies on its properties, not enough geometrical and thermodynamic data is available on this compound. So, this study aimed to investigate the structural properties and assignment of possible conformers of captopril in the gas-phase. To this end, 1152 unique tr...
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