𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of (CO2)n−: structures and stabilities of isomers

✍ Scribed by Morihisa Saeki; Tatsuya Tsukuda; Takashi Nagata


Book ID
108312308
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
231 KB
Volume
340
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Structures and stabilities of C6H3⨥6 iso
✍ Wolfram Koch; Helmut Schwarz 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 279 KB

The ground-state potential energy surface of C6H63-+ was explored by ab initio molecular orbital calculations using the split valence 3-21G basis set. Various isomers were located as minima, the most stable corresponding to the fulvene tricat-.... 0 -1 3+ • • ion (1). The heat of formation of 1 Is e

An ab initio study of the relative stabi
✍ Colin Thomson; Christopher Glidewell 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 645 KB

A b inztio SCF calculations of the equilibrium geometries have been carried out on nine possible isomers of MHzN2, where M = C or Si, and compared with the results of MNDO calculations. The results for the carbon compounds are in good agreement with available experimental data, but in the case of th

Ab initio study of cyanoguanidine isomer
✍ A.V. Arbuznikov; L.A. Sheludyakova; E.B. Burgina 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 389 KB

An ab initio quantum chemical study of the geometric structure and stability of cyanoguanidine isomers was carried out at the Hartree-Fock and M¢ller-Plesset levels of theory. Two stable separable isomers ('cyanoimine' and 'cyanoamine') are found. This gives evidence in favour of the vibrational spe