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ChemInform Abstract: PM3(tm) Analysis of Transition-Metal Complexes.

✍ Scribed by Thomas R. Cundari; Jun Deng


Publisher
John Wiley and Sons
Year
2010
Weight
24 KB
Volume
30
Category
Article
ISSN
0931-7597

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Performance of the semiempirical PM3 (tm
✍ Bosque, RamοΏ½n; Maseras, Feliu πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 294 KB πŸ‘ 1 views

The geometries of three different sets of transition metal compounds are optimized with the semiempirical PM3 (tm) method. The systems under test are: (i) products of cyclometallation, like [Pd{C 6 H 4 [CH(Me)NH 2 ]}Br(PPh 3 )], (ii) molecular dihydrogen complexes, like [W(CO) 3 (H 2 )(PR 3 ) 2 ], a