Some regular state sets in the system of one-dimensional iterative automata

On the additivity of basis set effects i

On the additivity of basis set effects in some simple fluorine containing systems

✍ Edgar W. Ignacio; H. Bernhard Schlegel 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 705 KB

+ Fwere used as simple test cases to assess the additivity of basis set effects on reaction energetics computed at the MP4 level. The 6- 31G and 6-311G basis sets were augmented with 1, 2, and 3 sets of polarization functions, higher angular momentum polarization functions, and diffuse functions (27