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Vibrational Spectroscopic Studies and Density Functional Theory Calculations of Speciation in the CO2–Water System

✍ Scribed by Rudolph, Wolfram W.; Fischer, Dieter; Irmer, Gert


Book ID
115365496
Publisher
Society for Applied Spectroscopy
Year
2006
Tongue
English
Weight
336 KB
Volume
60
Category
Article
ISSN
0003-7028

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📜 SIMILAR VOLUMES


Theoretical electronic and vibrational s
✍ P. Pullumbi; Y. Bouteiller 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 351 KB

The AICO molecule has been experimentally characterized as a strong complex with a large red-shift of the Vco stretching mode. Post Hartree-Fock ab initio methods including the treatment of correlation effects have predicted this molecule to be a weakly bound van der Waals complex, and were not able