𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the fragmentation and reactivity of Snmolecules, where n≤8

✍ Scribed by A. B. Boltin; P. P. Pipiraite; A. Yu. Ruzhene; B. N. Gorbunov; G. V. Tarkhov; L. B. Simanenkova


Publisher
SP MAIK Nauka/Interperiodica
Year
1988
Tongue
English
Weight
411 KB
Volume
29
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical study of the fragmentation a
✍ Guzel G. Garifzianova; Grigorii M. Khrapkovskii 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 856 KB

## Abstract This theoretical study was held with purpose to explore fragmentation and isomerization pathways of ethyltoluene radical cation. B3LYP level of theory with 6‐31G(d) and 6‐311++G(df,p) basis sets was used to calculate potential energy surface of __o__‐, __m__‐, and __p__‐isomers. Single‐

Theoretical study of the tautomerism of
✍ J. Guillermo Contreras; Sandra T. Madariaga; Joel B. Alderete 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 79 KB

The prototropic tautomerism of 8-azaadenine (azaade) was studied theoretically by means of ab initio methods, in both the gas phase and aqueous solution. A number of tautomeric forms were not included in the calculations after applying a stepwise elimination procedure based on both AM1 and HF/6-31G\

A theoretical study of the C2 fragmentat
✍ Wade C. Eckhoff; Gustavo E. Scuseria 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 519 KB

The energetics of the loss of C2 units from Cw and C,a has been extensively studied experimentally, but no consensus has yet been reached as to the energy of C2 dissociation from these fullerenes. We have used the Hat-tree-Fock self-consistent field theory and a hybrid of Hartree-Fock and density fu