Journal of Chemical Physics, Vol.102, No.23, 9315-9321, 1995
Vibrational Frequencies of Transition-Metal Chloride and Oxo Compounds Using Effective Core Potential Analytic 2nd-Derivatives
Keywords:RELATIVISTIC EFFECTIVE POTENTIALS;SPIN-ORBIT OPERATORS;EXTENDED BASIS-SETS;ORGANOMETALLIC COMPOUNDS;MOLECULAR CALCULATIONS;SPECTRA;INTEGRALS;1ST-ROW;ATOMS