✦ LIBER ✦

The optimum contraction of basis sets for calculating spin–spin coupling constants

✍ Scribed by Frank Jensen

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Basis-set dependence of nuclear spin-spi

✍ Trygve Helgaker; Michał Jaszuński; Kenneth Ruud; Anna Górska 📂 Article 📅 1998 🏛 Springer 🌐 English ⚖ 201 KB

The Basis Set Convergence of Spin−Spin C

✍ Jensen, Frank 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 190 KB

Influence of Density Functionals and Bas

✍ Suardíaz, R.; Pérez, C.; Crespo-Otero, R.; García de la Vega, José M.; Fabián, J 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 187 KB

New operators for calculation of indirec

✍ Chipman, Daniel M.; Rassolov, Vitaly A. 📂 Article 📅 1997 🏛 American Institute of Physics 🌐 English ⚖ 306 KB

Basis Set Convergence of Indirect Spin–S

✍ Kupka, Teobald; Nieradka, Marzena; Stachów, Michał; Pluta, Tadeusz; Nowak, Piotr 📂 Article 📅 2012 🏛 American Chemical Society 🌐 English ⚖ 458 KB

The quantum-chemical calculation of NMR

✍ Trygve Helgaker; Michał Jaszuński; Magdalena Pecul 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 512 KB