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Contemporary Carbene Chemistry (Moss/Contemporary Carbene Chemistry) || Computational Methods for the Study of Carbenes and their Excited States

✍ Scribed by Moss, Robert A.; Doyle, Michael P.


Book ID
121862613
Publisher
John Wiley & Sons, Inc
Year
2013
Weight
221 KB
Category
Article
ISBN
1118237951

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The electronic structure and properties of the carbonyls TiCO, FeCO, and NiCO in the quintuplet, triplet, and singlet ground states and triplet, quintuplet, and triplet first electronic excited states, respectively, were studied using density functional Ε½ . Ε½ . theory DFT methods. The ADF program ve