Computational Chemistry Using the Quantum Theory of Atoms in Molecules (QTAIM)
Representations of the molecule 5-formyl-2-(3-fluoro-4-bromobutadienyl)thiazole in terms of features of the gradient vector field of its electron density distribution. Calculated and displayed using AIMAll together with a g09 ab initio quantum chemistry wavefunction (HF/6-311G(d,p)//HF/6-311G(d,p)).
AIMAll is an easy to use, accurate, reliable and efficient quantum chemistry software package for performing comprehensive,
quantitative and visual QTAIM analyses of molecular systems - starting from molecular wavefunction data.