✦ LIBER ✦

Binding energies, molecular structures, and vibrational frequencies of transition metal carbonyls using density functional theory with gradient corrections

✍ Scribed by Delley, Bernard; Wrinn, Michael; Lüthi, Hans Peter

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density functional theory calculations o

✍ J.W. Finley; P.J. Stephens 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 801 KB

A local density functional study of the

✍ Sosa, Carlos; Andzelm, Jan; Elkin, Brad C.; Wimmer, Erich; Dobbs, Kerwin D.; Dix 📂 Article 📅 1992 🏛 American Chemical Society 🌐 English ⚖ 875 KB

A relativistic Kohn–Sham density functio

✍ van Wüllen, Christoph 📂 Article 📅 1996 🏛 American Institute of Physics 🌐 English ⚖ 431 KB