Analysis of the effect of changing the a0 parameter of the Becke3-LYP hybrid functional on the transition state geometries and energy barriers in a series of prototypical reactions
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author: Juvencio Robles Jordi Poater Miquel Duran Portas Miquel Solà i Puig |
| Publication date | January 31, 2002 |
| Language | English |
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