QSPR modeling mineral crystal lattice energy by optimal descriptors of the graph of atomic orbitals

Models of the crystal lattice of minerals of general formula of AmCn: m,n = 1,2: A = Li, K, Na, Mg, Ca, Mn, Cu, Zn, Sr, Cd, Ba, Hg, Pb, Cs, and Rb ; C = Be, O, F, S, Cl, Br, and I; as a mathematical function of their structure have been constructed. Two elucidations of molecular structure have been used: molecular graph (vertexes are atoms, i.e., Li, Na, K, etc.) and graph of atomic orbitals, GAO (vertexes are atomic orbitals, i.e., 1s2, 2p5, 3d10, etc). Statistical characteristics of the GAO-based models are better.