查看文章

[10] PJ Hay, WR Wadt, J. Chem. Phys. 1985, 82, 299.[11] Jaguar 4.0, release 23, Schrˆdinger, Inc., Portland, OR, USA, 1998.[12] NBO net charge of the hydrogen atoms of NH3: 0.338; NBO net charge of the hydrogen atoms of the ammine ligand of 11: 0.386 to 0.414; 17: 0.379 to 0.402, 23: 0.383 to 0.389. NBO 4.0. ED Glendening, JK Badenhoop, AE Reed, JE Carpenter, F. Weinhold, Theoretical Chemistry Institute, University of Wisconsin, Madison, WI, 1999.