✦ LIBER ✦

Application of the FAKE molecular-orbital method to diatomic molecules XY (X, Y = H, F, Cl, Br, I)

✍ Scribed by Alfred X. Trautwein; Siegried Lauer; Joseph Delhalle; Frank E. Harris

Publisher: Springer
Year: 1985
Tongue: English
Weight: 458 KB
Volume: 67
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00551263

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A new iterative tehnique for inverse vib

A new iterative tehnique for inverse vibrational analysis and a method of calculating the Coriolis forces on the atoms of triatomic molecules: application to HOX (X = F, Cl, Br, I)

✍ S. Mayilavelan; R. Balakrishnan 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 459 KB

Trends of the bonding effect on the perf

Trends of the bonding effect on the performance of DFT methods in electric properties calculations: A pattern recognition and metric space approach on some XY2 (X = O, S and Y = H, O, F, S, Cl) molecules

✍ Christos Christodouleas; Demetrios Xenides; Theodore E. Simos 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 163 KB

## Abstract A test set of 10 molecules (open and ring forms of ozone and sulfur dioxide as well as water and hydrogen sulfide and their respective fluoro‐ and chloro‐substituted analogs) of specific atmospheric interest has been formed as to assess the performance of various density functional theo