✦ LIBER ✦

An ab initio study of the electronic and vibrational properties of pyrazine⋯HX and XH⋯pyrazine⋯HX hydrogen-bonded complexes (X=F, NC, Cl, CN and CCH)

✍ Scribed by João Bosco P. da Silva; Mário R. Silva Júnior; Mozart N. Ramos; Sérgio E. Galembeck

Publisher: Elsevier Science
Year: 2005
Tongue: English
Weight: 121 KB
Volume: 744-747
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2004.12.048

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The structure, properties, and nature of

The structure, properties, and nature of HArF-HOX (X = F, Cl, Br) complex: An ab initio study and an unusual short hydrogen bond

✍ Qing-Zhong Li; Jun-Ling Zhao; Bo Jing; Ran Li; Wen-Zuo Li; Jian-Bo Cheng 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 159 KB 👁 2 views

## Abstract The structure and properties (geometric, energetic, electronic, spectroscopic, and thermodynamic properties) of HArF‐HOX (X = F, Cl, Br) complex have been investigated at the MP2/aug‐__cc__‐pVTZ level. Three types of complexes are formed through a hydrogen bond or a halogen bond. The HA

Study of the Nature of Improper Blue-Shi

Study of the Nature of Improper Blue-Shifting Hydrogen Bonding and Standard Hydrogen Bonding in the X3CH⋅⋅⋅OH2 and XH⋅⋅⋅OH2 Complexes (X=F, Cl, Br, I): A Correlated Ab Initio Study

✍ Wiktor Zierkiewicz; Danuta Michalska; Zdenek Havlas; Pavel Hobza 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 123 KB 👁 3 views