Journal of Chemical Physics, Vol.102, No.20, 8023-8028, 1995
Application of Gradient-Corrected Density-Functional Theory to the Structures and Thermochemistries of ScF3, Tif4, Vf5, and Crf6
Keywords:BASIS-SETS;VIBRATIONAL FREQUENCIES;CHROMIUM HEXAFLUORIDE;EXISTENCE;FLUORIDES;EXCHANGE;ORBITALS;ATOMS;YES