Host–guest complexation between the dicationic viologen 1-tri(ethylene glycol)-1′-methyl-m-xylyl-4,4′-bipyridinium and cucurbit[7]uril (CB7) was studied at pH = 4.5 in water. The stability constants o

DataCite Commons2026-03-23 更新90

Numerical integration of the rate equations of the MerB reaction mechanism

化学反应动力学

数值模拟

Source code, Windows executable, and outputs. Syntax is: HgMerB_kinetics [initial concentration of organomercurial (optional)] [number of steps with timestep tightening] [initial_timestep][pH] [type o

DataCite Commons2020-09-04 更新60

Bowl-to-Bowl Inversion Accelerated by the Introduction of Bulky 1,1,4,4-Tetramethylbutane-1,4-diyl Groups on Sumanene

化学反应动力学

分子结构优化

A variable-temperature 1H NMR study revealed that the bowl-to-bowl inversion of sumanene is accelerated by the introduction of bulky 1,1,4,4-tetramethylbutane-1,4-diyl groups on the peripheral aromati

DataCite Commons2020-09-18 更新100

A Kinetic Mechanism for CF 3 I Inhibition of Methane–Air Flames

化学反应动力学

火焰抑制

The influence of CF 3 I on the burning velocity of methane–air flame is experimentally and numerically studied. Experimental results demonstrate that the inhibition effectiveness of CF 3<

DataCite Commons2023-10-25 更新80

Data for: Can a Single Water Molecule Catalyze the OH + CH2CH2 and OH + CH2O Reactions?

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