✦ LIBER ✦

Specification of an extensible and portable file format for electronic structure and crystallographic data

✍ Scribed by X. Gonze; C.-O. Almbladh; A. Cucca; D. Caliste; C. Freysoldt; M.A.L. Marques; V. Olevano; Y. Pouillon; M.J. Verstraete

Book ID: 116375071
Publisher: Elsevier Science
Year: 2008
Tongue: English
Weight: 196 KB
Volume: 43
Category: Article
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2008.02.023

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Infrared Qualitative Analysis Automated

Infrared Qualitative Analysis Automated by Use of an Electronic Computer and a Spectral Data File with Band Intensity Information

✍ Saëki, Shinnosuke; Tanabe, Kazutoshi; Tamura, Tadao; Tasumi, Mitsuo; Suzuki, Isa 📂 Article 📅 1982 🏛 Society for Applied Spectroscopy 🌐 English ⚖ 639 KB

Synthesis and chemistry of 3-tert-butyl-

Synthesis and chemistry of 3-tert-butyl-1,5-diaminopyrazoleCCDC reference number 211651. See http://www.rsc.org/suppdata/ob/b3/b306058f/ for crystallographic data in .cif or other electronic format.

✍ Blake, Alexander J.; Clarke, David; Mares, Richard W.; McNab, Hamish 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 180 KB

An improved data reduction procedure for

An improved data reduction procedure for processing electron diffraction images and its application to structural study of carbon tetrachloride

✍ A.V. Zakharov; Yu. A. Zhabanov 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 666 KB

Jahn???Teller distortion of the open-she

Jahn???Teller distortion of the open-shell 23-electron chalcogenide rhenium cluster cores in crystals of the series, {[Re6Q8]3+(X???)6}3??? (Q = S, Se; X = Cl, CN)Electronic supplementary information (ESI) available; crystallographic data (collected on a STOE IPDS equipped with an Oxford cryostat) and full details of solution and refinement for all 14 structures reported herein, Tables 2???6. CCDC 186991???187004. See http://www.rsc.org/suppdata/cc/b2/b205241e/ for crystallographic files in .cif or other electronic format.

✍ Baudron, St??phane A.; Deluzet, Andr??; Boubekeur, Kamal; Batail, Patrick 📂 Article 📅 2002 🏛 Royal Society of Chemistry 🌐 English ⚖ 902 KB

Bis-bidentate vs. bis-tridentate imino-h

Bis-bidentate vs. bis-tridentate imino-heterocycle ligands in the formation of dinuclear helical complexes of Fe(ii)Electronic supplementary information (ESI) available: atomic positions, bond lengths and angles, anisotropic thermal parameters, hydrogen atom coordinates, data collection, and crystal parameters for all crystallographically characterized complexes; NMR spectra, including COSY, and CD spectra for ligand 3 and [FeII2(3)2]4+. See http://www.rsc.org/suppdata/dt/b2/b210137h/

✍ Pallavicini, Piersandro; Amendola, Valeria; Diaz Fernandez, Yuri; Ghisalberti, M 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 179 KB