✦ LIBER ✦

An ONIOM2 study on pyridine adsorption in the main channels of Li- and Na-MOR

✍ Scribed by Shuping Yuan; Jianuo Wang; Yun-Bo Duan; Yong-Wang Li; Haijun Jiao

Book ID: 103834446
Publisher: Elsevier Science
Year: 2006
Tongue: English
Weight: 394 KB
Volume: 256
Category: Article
ISSN: 1381-1169
DOI: 10.1016/j.molcata.2006.04.062

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical ONIOM2 Study on Pyridine Ads

Theoretical ONIOM2 Study on Pyridine Adsorption in the Channels and Intersection of ZSM-5

✍ Yuan, Shuping; Shi, Wei; Li, Bingrui; Wang, Jianguo; Jiao, Haijun; Li, Yong-Wang 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 524 KB

Alkali metals on Si(100) 2 × 1: comparat

Alkali metals on Si(100) 2 × 1: comparative study of the surface electronic structures for Li, Na and K adsorption

✍ L.S.O. Johansson; B. Reihl 📂 Article 📅 1993 🏛 Elsevier Science ⚖ 77 KB

Alkali metals on Si(100)2 × 1: comparati

Alkali metals on Si(100)2 × 1: comparative study of the surface electronic structures for Li, Na and K adsorption

✍ L.S.O. Johansson; B. Reihl 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 434 KB

On the accuracy of density functionals a

On the accuracy of density functionals and their basis set dependence: An extensive study on the main group homonuclear diatomic molecules Li2 to Br2

✍ Roland H. Hertwig; Wolfram Koch 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 943 KB

The equilibrium bond distances, harmonic frequencies, and bond dissociation energies of the 21 homonuclear diatomics Li,-F,, Na,-Cl,, and K,-Br, have been determined using approximate density functional theory (DFT) employing various widely used functionals and basis sets ranging from single zeta to

An ESR study on the interaction of coppe

An ESR study on the interaction of copper(II) with pyridine and poly(2-vinylpyridine) in ethanol solutions

✍ M.Francesca Ottaviani 📂 Article 📅 1984 🏛 Elsevier Science ⚖ 735 KB

Ab initio MO studies on the stabilities

Ab initio MO studies on the stabilities and binding energies in the complexes of the ions and CO or N2 molecules; ion = Li+, Na+, Be2+, and Mg2+

✍ Shigeru Ikuta 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 762 KB