✦ LIBER ✦

Electronic structure of thiocyanates Part 1. Ab initio calculations of SCN− and Li+ (SCN−)

✍ Scribed by Fresia Parrini; Raúl G.E. Morales

Book ID: 113257840
Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 341 KB
Volume: 282
Category: Article
ISSN: 0166-1280
DOI: 10.1016/0166-1280(93)85034-v

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electronic structure of ScN determined u

Electronic structure of ScN determined using optical spectroscopy, photoemission, and ab initio calculations

✍ Gall, D.; Städele, M.; Järrendahl, K.; Petrov, I.; Desjardins, P.; Haasch, R. T. 📂 Article 📅 2001 🏛 The American Physical Society 🌐 English ⚖ 122 KB

Ab initio study of structural, electroni

Ab initio study of structural, electronic and optical properties of MnHg(SCN)4 and FeHg(SCN)4

✍ K.H. He; G. Zheng; G. Chen; T. Lü; M. Wan; G.F. Ji 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 310 KB

Theoretical studies on the geometric and

Theoretical studies on the geometric and electronic structure of substituted SCN isomers: Part 1. Non-empirical and MNDO results for some thiocyanates

✍ Vincenzo Barone; Pierluigi Cristinziano; Francesco Lelj; Nino Russo 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 972 KB

Electronic structure of ScN and YN: dens

Electronic structure of ScN and YN: density-functional theory LDA and GW approximation calculations

✍ Tie-Yu, Lü; Mei-Chun, Huang 📂 Article 📅 2006 🏛 Institute of Physics 🌐 English ⚖ 162 KB

Electronic structure and optical propert

Electronic structure and optical properties of from ab initio calculations

✍ P.O. Adebambo; K.M. Bamgbose; J.A. Olowofela; J.A. Oguntuase; G.A. Adebayo 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 234 KB

Ab initio calculations of the electronic

Ab initio calculations of the electronic structure of helical polymers

✍ J. M. André; D. P. Vercauteren; V. P. Bodart; J. G. Fripiat 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 950 KB

An ab initio self-consistent-field (scF) algorithm taking into account all the features of the one-dimensional translational periodicity and the helical symmetry is presented. This algorithm includes the long-range correction to the Coulomb potential and is designed to calculate the band structure o