✦ LIBER ✦

Theoretical studies on structures and electronic spectra of linear HC2n+1H+ (n = 2–7)

✍ Scribed by Jinglai Zhang; Xugeng Guo; Zexing Cao

Book ID: 108146671
Publisher: Elsevier Science
Year: 2010
Tongue: English
Weight: 287 KB
Volume: 290
Category: Article
ISSN: 1387-3806
DOI: 10.1016/j.ijms.2009.12.013

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A theoretical study of electronic spectr

A theoretical study of electronic spectra in the linear cationic chains NC2n+1N+ (n = 1–6)

✍ Yuan Zhao; Jia Guo; Jinglai Zhang 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 521 KB

A quantum chemical study of the N2H+&#xa

A quantum chemical study of the N2H+ + e−  → N2 + H reaction I: The linear dissociation path

✍ D. Talbi 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 274 KB

Structural and electronic properties of

Structural and electronic properties of CenO2n (n = 1–5) nanoparticles: A computational study

✍ Hui-Lung Chen; Meng-Hsiung Weng; Shin-Pon Ju; Jee-Gong Chang; Hsin-Tsung Chen; C 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 730 KB

Theoretical analysis of the electronic s

Theoretical analysis of the electronic spectra of water adsorbed on the rutile TiO2 (1 1 0) and MgO (1 0 0) surfaces

✍ Vladimir Shapovalov; Yan Wang; Thanh N. Truong 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 323 KB

We present analysis of the molecular orbitals of an isolated water molecule physisorbed on the rutile TiO 2 (1 1 0) surface and MgO (1 0 0) surface. On the TiO 2 surface the 3a 1 and 1b 1 orbitals split due to the interactions with the surface atoms. This resembles the features of the experimental e

Electronic spectra of the linear magnesi

Electronic spectra of the linear magnesium-containing carbon chains MgC2nH (n = 1–5): A CASPT2 study

✍ Xugeng Guo; Junli Zhang; Junfeng Li; Lihui Jiang; Jinglai Zhang 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 435 KB

Synthesis, structure and physical charac

Synthesis, structure and physical characterization of the dimer {[(bpy)2Co]2(TPOA)}4+ (bpy = 2,2′-dipyridyl; H2TPOA = N,N′,N′′,N′′′-tetraphenyl oxalamidine)

✍ Carlos Martí-Gastaldo; Zhi-Rong Qu; Sergio Tatay; Mario Ruben; Jose R. Galán-Mas 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 557 KB

Theoretical studies on structures and electronic spectra of linear HC2n+1H+ (n&#xa0;=&#xa0;2–7)

Theoretical studies on structures and electronic spectra of linear HC2n+1H+ (n = 2–7)