✦ LIBER ✦

Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors

✍ Scribed by Peverati, Roberto; Truhlar, Donald G.

Book ID: 118066084
Publisher: American Institute of Physics
Year: 2012
Tongue: English
Weight: 555 KB
Volume: 136
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3698285

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The performance of hybrid density functi

The performance of hybrid density functional theory for the calculation of indirect nuclear spin–spin coupling constants in substituted hydrocarbons

✍ Ola B. Lutnæs; Torgeir A. Ruden; Trygve Helgaker 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 164 KB 👁 1 views

Density functional theory, in particular, with the Becke-3-parameter-Lee-Yang-Parr (B3LYP) hybrid functional, has been shown to be a promising method for the calculation of indirect nuclear spin-spin coupling constants. However, no systematic investigation has so far been undertaken to evaluate the

Stacking and H-bonding patterns of dGpdC

Stacking and H-bonding patterns of dGpdC and dGpdCpdG: Performance of the M05-2X and M06-2X Minnesota density functionals for the single strand DNA

✍ Jiande Gu; Jing Wang; Jerzy Leszczynski 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 701 KB

The performance status scale for head an

The performance status scale for head and neck cancer patients and the functional assessment of cancer therapy-head and neck scale: a study of utility and validity: M.A. List, L.L. D'Antonio, D.F. Cella, A. Siston, P. Mumby, D. Haraf, E. Vokes Cancer 1996:77:2294-301

✍ H. Tideman 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 88 KB

Spheroidal wave functions including tabl

Spheroidal wave functions including tables of separation constants and coefficients: by J. A. Stratton, P. M. Morse, L. J. Chu, J. D. C. Little and F. J. Corbato. 613 pages, 812 × 11 in. New York, The Technology Press and John Wiley & Sons, Inc.; London, Chapman and Hall, Ltd.; 1956.Price, $12.50

✍ H.L. Platzer 📂 Article 📅 1956 🏛 Elsevier Science 🌐 English ⚖ 95 KB

The most useful technique for obtaining solutions of problems in the partial differential equations of mathematical physics can be described as follows : 1. The partial differential equation is