Here you will find detailed troubleshooting guides and frequently asked questions (FAQs) concerning the prevention of cyclobutadiene dimerization at low temperatures.

Ab initio molecular orbital calculations have been performed on the dimerization of cyclobutadiene using the 3-21G and 6-31G* basis sets. Complete active space SCF calculations with an 8-electron 8 …

There have been no mechanistic studies on the dimerization of cyclobutadiene. The small singlet-triplet gap (7 kcal/mol)3 and high diradical character of CB raise the interesting question whether the …

Samples of cyclobutadiene are unstable since the compound dimerizes at temperatures above 35 K by a Diels-Alder reaction. [9] By suppressing bimolecular decomposition pathways, cyclobutadiene is …

Even at —78 °C, however, cyclobutadiene is so reactive that it dimerizes by a Diels-Alder reaction. One molecule behaves as a diene and the other as a dienophile.

An ab Initio theoretical study about the dimerization of cyclobutadiene using CASSCF computational methods. "The Hueckelberries" Bruce Flint & Sang Lee

Table S1. The all-electron focal point analysis of the acetylene to cyclobutadiene dimerization. All results are in kcal mol−1. The symbol δ denotes the increment in the relative energy (ΔEe) with respect to …