✦ LIBER ✦

Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit

✍ Scribed by Řezáč, Jan; Hobza, Pavel

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Extrapolation to the complete basis set

✍ Steve Scheiner 📂 Article 📅 2012 🏛 Elsevier 🌐 English ⚖ 210 KB

Interactions of Boranes and Carboranes w

✍ Sedlák, Róbert; Fanfrlík, Jindřich; Hnyk, Drahomír; Hobza, Pavel; Lepšík, 📂 Article 📅 2010 🏛 American Chemical Society 🌐 English ⚖ 932 KB

Benchmark calculations of water–acene in

✍ Jenness, Glen R.; Karalti, Ozan; Jordan, Kenneth D. 📂 Article 📅 2010 🏛 Royal Society of Chemistry 🌐 English ⚖ 855 KB

Assessing the Accuracy of SAPT(DFT) Inte

✍ Bordner, Andrew J. 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 504 KB

Generalized Uniform Singlet- and Triplet

✍ Varandas, A. J. C. 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 150 KB

Ab initio total atomization energies of

✍ Jan M.L. Martin 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 704 KB