✦ LIBER ✦

Ab initio investigation of the Jahn–Teller distortion effect on the stabilizing lithium intercalated compounds

✍ Scribed by T. Amriou; B. Khelifa; H. Aourag; S.M. Aouadi; C. Mathieu

Book ID: 113781282
Publisher: Elsevier Science
Year: 2005
Tongue: English
Weight: 403 KB
Volume: 92
Category: Article
ISSN: 0254-0584
DOI: 10.1016/j.matchemphys.2005.01.061

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio EPR parameters for dangling-bo

Ab initio EPR parameters for dangling-bond defect complexes in silicon: Effect of Jahn-Teller distortion

✍ Pfanner, Gernot; Freysoldt, Christoph; Neugebauer, Jörg; Gerstmann, Uwe 📂 Article 📅 2012 🏛 The American Physical Society 🌐 English ⚖ 583 KB

Ab initio MO studies on the stability of

Ab initio MO studies on the stability of intercalation compound Cu–hBN

✍ Bai-Qing Dai; Gui-Ling Zhang 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 87 KB

Ab initio investigation of the multimode

Ab initio investigation of the multimode dynamical Jahn-Teller effect in the X̃ 2E1g state of the benzene cation

✍ J. Eiding; R. Schneider; W. Domcke; H. Köppel; W. von Niessen 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 633 KB

Linear lahn-Teller coupling parameten for the %! \*El, state of C& and C6D: have been determined using beyond-Hartree-Fock ab initio methods. The vibmnic structure of the first band of the photoelectron spectrum of benzene has been computed including up to three nonseparable Jahn-Teller-active modes

Ab Initio MCSCF Study on Eight π-Electro

Ab Initio MCSCF Study on Eight π-Electron Heterocyclic Conjugated Systems: Energy Component Analysis of the Pseudo-Jahn−Teller Distortion from Planarity

✍ Toyota, Azumao; Shiota, Masahiro; Nagae, Yukihiko; Koseki, Shiro 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 84 KB

Effects of rare-earth ion size on the st

Effects of rare-earth ion size on the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites

✍ Seman, T. F.; Ahn, K. H.; Lookman, T.; Saxena, A.; Bishop, A. R.; Littlewood, P. 📂 Article 📅 2012 🏛 The American Physical Society 🌐 English ⚖ 446 KB

Ab Initio MCSCF Study on Electronically

Ab Initio MCSCF Study on Electronically Excited Singlet States of Fulvalene Systems: Energy Component Analysis of the Pseudo-Jahn−Teller Effect

✍ Toyota, Azumao; Koseki, Shiro 📂 Article 📅 1998 🏛 American Chemical Society 🌐 English ⚖ 91 KB