𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Chemical Reactions: Mechanisms in Solution

Book ID
109674672
Publisher
Nature Publishing Group
Year
1970
Tongue
English
Weight
256 KB
Volume
227
Category
Article
ISSN
0028-0836

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πŸ“œ SIMILAR VOLUMES

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β€œStatistical–mechanical” understanding of chemical reaction mechanism in solution: Energy fluctuations and heat capacities for isomerization of formamidine in aqueous solution
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To explore the energy flow-mechanism of a solution-chemical reaction on the basis of an energy-fluctuation analysis and the time evolution of various kinds of w Ε½ .x energies J. Phys. Chem. 48, 12506 1994 , a chemical reaction molecular dynamics simulation was carried out in the microcanonical ensem

Simulation of chemical reactions in solu
Simulation of chemical reactions in solution by a combination of classical and quantum mechanical approach
✍ J.-K. Hwang; J.-J. Pan πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 337 KB

A classical trajectory mapping method was developed to study chemical reactions in solution and in enzymes. In this method, the trajectories were calculated on a classical potential surface and the free energy profile was obtained by mapping the classical surface to the quantum mechanical surface ob