✦ LIBER ✦

Parameterization of tight-binding models from density functional theory calculations

✍ Scribed by Urban, A.; Reese, M.; Mrovec, M.; Elsässer, C.; Meyer, B.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Tight-binding models and density-functio

✍ Foulkes, W. Matthew C.; Haydock, Roger 📂 Article 📅 1989 🏛 The American Physical Society 🌐 English ⚖ 802 KB

Prediction of cellulose nanotube models

✍ Uto, Takuya; Miyata, Tatsuhiko; Yui, Toshifumi 📂 Article 📅 2013 🏛 Springer 🌐 English ⚖ 501 KB

Density functional and tight binding the

✍ Gürel, H. Hakan; Ünlü, Hilmi 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 967 KB

Molecular binding energies from partitio

✍ Nafziger, Jonathan; Wu, Qin; Wasserman, Adam 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 643 KB

Some Understanding of Fischer–Tropsch Sy

✍ Jun Cheng; P. Hu; Peter Ellis; Sam French; Gordon Kelly; C. Martin Lok 📂 Article 📅 2010 🏛 Springer 🌐 English ⚖ 589 KB

Acid Dissociation Constants of Melamine

✍ Jang, Yun Hee; Hwang, Sungu; Chang, Seo Bong; Ku, Jamin; Chung, Doo Soo 📂 Article 📅 2009 🏛 American Chemical Society 🌐 English ⚖ 217 KB