Unified linear and nonlinear models for retention prediction of aliphatic aldehydes and ketones in different columns and temperatures: application of atom-type-based …
F Safa, F Manouchehri - Chemistry Africa, 2023 - Springer
In this work, the quantitative structure–retention relationship (QSRR) strategy was followed
for simultaneous modeling of retention indices of a group of aliphatic aldehydes and ketones …
for simultaneous modeling of retention indices of a group of aliphatic aldehydes and ketones …
Atomic-level AI topological indices as efficient descriptors for developing predictive QSPR models for flash points of acyclic alkanes
F Fazehi, F Safa - Journal of Thermal Analysis and Calorimetry, 2023 - Springer
The atomic-level AI topological indices combined with the Xu topological index were utilized
in the quantitative structure–property relationship (QSPR) study of the flash point (FP) …
in the quantitative structure–property relationship (QSPR) study of the flash point (FP) …
[PDF][PDF] Topology Molecular Indices Relationship of Electronic Properties of N-Alkanes and Branched Alkanes
Eight electronic properties; HUMO, LUMO, HOMO-LUMO energy gap, dipole moment point-
charge, dipole moment hybrid, molecular weight, heat of formation and zero-point energy of …
charge, dipole moment hybrid, molecular weight, heat of formation and zero-point energy of …
Inverse and Hyper Zagreb indices: application to quantitative structure properties relationship
AN Alias, Z Mohamed Zabidi, NA Zakaria… - Mathematical …, 2021 - ir.uitm.edu.my
The topology index can be derived from molecular connectivity, which can be related to the
chemical or physical properties of molecules. The topology indices of alkanes are calculated …
chemical or physical properties of molecules. The topology indices of alkanes are calculated …