## Abstract We applied the Infinite Basis (IB) set extrapolation and Double Hybrid Density Functional Theory (DHDF) to calculate the databases of atomization energies, ionization energies, electron affinities, reaction barrier heights, proton affinities, alkyl bond dissociation energies, and noncov
β¦ LIBER β¦
Infinite Basis Set Extrapolation for Double Hybrid Density Functional Theory 2: Effect of Adding Diffuse Basis Functions
β Scribed by Yao-Yuan Chuang; Sheng-Min Chen
- Book ID
- 112120344
- Publisher
- Chinese Electronic Periodical Services
- Year
- 2012
- Tongue
- English
- Weight
- 707 KB
- Volume
- 59
- Category
- Article
- ISSN
- 0009-4536
No coin nor oath required. For personal study only.
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