✦ LIBER ✦

Ab initio study of the carbon dioxide dimer and the carbon dioxide ion complexes [(CO2)2+ and (CO2)3+]

✍ Scribed by Illies, Andreas J.; McKee, Michael L.; Schlegel, H. Bernhard.

Book ID: 120987027
Publisher: American Chemical Society
Year: 1987
Tongue: English
Weight: 750 KB
Volume: 91
Category: Article
ISSN: 0022-3654
DOI: 10.1021/j100297a007

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical study of the structures and

Theoretical study of the structures and stabilities of the carbon dioxide dimer ((CO2)2-) ions

✍ Fleischman, S. H.; Jordan, K. D. 📂 Article 📅 1987 🏛 American Chemical Society 🌐 English ⚖ 391 KB

Matrix-isolation FTIR study of carbon di

Matrix-isolation FTIR study of carbon dioxide: Reinvestigation of the CO2 dimer and CO2⋯N2 complex

✍ Jovanny A. Gómez Castaño; Adolfo Fantoni; Rosana M. Romano 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 374 KB

Ionic Species in Pulse Radiolysis of Sup

Ionic Species in Pulse Radiolysis of Supercritical Carbon Dioxide. 2. Ab Initio Studies on the Structure and Optical Properties of (CO 2 ) n + , (CO 2 ) 2- , and CO 3- Ions

✍ Shkrob, Ilya A. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 206 KB

An ab initio intermolecular potential fo

An ab initio intermolecular potential for the carbon monoxide dimer (CO)2

✍ van der Pol, A.; van der Avoird, A.; Wormer, P. E. S. 📂 Article 📅 1990 🏛 American Institute of Physics 🌐 English ⚖ 840 KB

Ab Initio Molecular Dynamics Study of Ca

Ab Initio Molecular Dynamics Study of Carbon Dioxide and Bicarbonate Hydration and the Nucleophilic Attack of Hydroxide on CO 2

✍ Leung, Kevin; Nielsen, Ida M. B.; Kurtz, Ira 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 106 KB

Ab initio study of the (COS)+2 complex

✍ Michael L. McKee 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 351 KB

The ion-molecule complex (COS): is predicted to be bound by a 2o3e bond between two sulfur atoms. The lowest energy structure has C1 symmetry with a S-S distance of 2.866 A at the UHF/6-31G\* level. The calculated binding energy at the [PMP4/ 6-31 +G\*] +ZPC level (19.9 kcal/mol) is in good agreemen