✦ LIBER ✦

DFT study of the electronic, vibrational, and optical properties of SnO2

✍ Scribed by Pablo D. Borges; Luisa M. R. Scolfaro; Horácio W. Leite Alves; Eronides F. da Silva

Publisher: Springer
Year: 2009
Tongue: English
Weight: 569 KB
Volume: 126
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s00214-009-0672-3

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular structure, vibrational spectra

Molecular structure, vibrational spectra and nonlinear optical properties of l-Valine Hydrobromide: DFT study

✍ M. Amalanathan; I. Hubert Joe; V.K. Rastogi 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 871 KB

Studies of electrical and optical proper

Studies of electrical and optical properties of SnO2:P films

✍ J.P. Upadhyay; S.R. Vishwakarma; H.C. Prasad 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 445 KB

Ab initio study of structural, electroni

Ab initio study of structural, electronic, optical, and vibrational properties of ZnxSy(x

✍ P. S. Yadav; D. K. Pandey; S. Agrawal; B. K. Agrawal 📂 Article 📅 2010 🏛 Springer Netherlands 🌐 English ⚖ 759 KB

Vibrational analysis and thermodynamic p

Vibrational analysis and thermodynamic properties of C120nanotorus: a DFT study

✍ Ernesto López-Chávez; Armando Cruz-Torres; Fray de Landa Castillo-Alvarado; Jaim 📂 Article 📅 2011 🏛 Springer Netherlands 🌐 English ⚖ 624 KB

Electron spectroscopic studies on films

Electron spectroscopic studies on films of SnO2 and SnO2:Sb

✍ I.S. Mulla; V.J. Rao; H.S. Soni; S. Badrinarayanan; A.P.B. Sinha 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 820 KB

DFT study of the structural and electron

DFT study of the structural and electronic properties of small Nin (n=2–4) clusters

✍ G. Andrés Cisneros; Miguel Castro; Dennis R. Salahub 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 613 KB

All-electron calculations were performed for Ni , Ni , and Ni clusters 2 3 4 and their respective anions and cations using density functional theory techniques as implemented in the DGauss code. Both local and generalized gradient-corrected functionals were employed. Three different multiplicities w