✦ LIBER ✦

Structure and Vibrational Properties of Sodium Disilicate Glass from ab Initio Molecular Orbital Calculations

✍ Scribed by Uchino, Takashi; Yoko, Toshinobu

Book ID: 126770520
Publisher: American Chemical Society
Year: 1998
Tongue: English
Weight: 151 KB
Volume: 102
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp981564g

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structure and vibrational properties of

Structure and vibrational properties of alkali phosphate glasses from ab initio molecular orbital calculations

✍ Takashi Uchino; Toshinobu Yoko 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 462 KB

Molecular properties of FeCO as derived

Molecular properties of FeCO as derived from AB initio molecular orbital calculations

✍ V. R. Marathe; A. Sawaryn; A. X. Trautwein; M. Dolg; G. Igel-Mann; H. Stoll 📂 Article 📅 1987 🏛 Springer 🌐 English ⚖ 927 KB

Molecular structure of ethynylbenzene fr

Molecular structure of ethynylbenzene from electron diffraction and ab initio molecular orbital calculations

✍ György Schultz; Tamás Nagy; Gustavo Portalone; Fabio Ramondo; István Hargittai; 📂 Article 📅 1993 🏛 Springer 🌐 English ⚖ 555 KB

Vibrational frequencies and structure of

Vibrational frequencies and structure of cyclopropenone from ab initio calculations

✍ Juan Yang; Kathleen McCann; Jaan Laane 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 99 KB

Structural properties of lithium metapho

Structural properties of lithium metaphosphate glasses by ab initio molecular electronic structure calculations

✍ Dimitrios G. Liakos; Emanuel D. Simandiras 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 912 KB

Molecular structure and vibrational spec

Molecular structure and vibrational spectra of dithionite ion by ab initio calculations

✍ Jerzy Leszczynski; Michael C. Zerner 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 419 KB

The structure of the dithionite ion, S2 O:-, is examined using quantum chemical calculations. These studies strongly suggest that only the C2,, (trans) isomer is stable in solution. The CZv (cis) form reported in NazSZ0,.2Hz0 is stabilized by crystal forces. The calculated vibrational spectrum of th