Hasanayn F.; Markarian M.-Z.; Al-Rifai R.
(WASHINGTON1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2004)
DFT methods have been used to investigate the dependence of the geometry and energy order of the low energy states of [d4-η 5-CpMo(CO)2X] 16-electron complexes on X (X = halogen, CN, H and CH3). The calculations use a ...