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The Use of Density Functional Theory To Understand and Predict Structures and Bonding in Main Group Compounds with Multiple Bonds

✍ Scribed by Cotton, F. Albert; Cowley, Alan H.; Feng, Xuejun


Book ID
127095725
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
89 KB
Volume
120
Category
Article
ISSN
0002-7863

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It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably