Computational NQR−NBO Parameters and DFT Calculations of Ampicillin and Zwitterion (Monomer and Dimer Structures)
1. Computational NQR−NBO Parameters and DFT Calculations of Ampicillin and Zwitterion (Monomer and Dimer Structures)

Neda Ahmadinejad; Mostafa Talebi Trai

Volume 3, Issue 1 , Winter 2019, , Pages 55-66

http://dx.doi.org/10.22034/chemm.2018.136806.1064

Abstract
  Density functional theory (DFT) was used to analyze the structure and Nuclear quadrupole coupling constants (NQCC), χ, and asymmetry parameters, η, of 14N nuclei have been calculated ...  Read More