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Structure of complexes of formic acid with amines in solution

✍ Scribed by N. S. Golubev


Publisher
SP MAIK Nauka/Interperiodica
Year
1982
Tongue
English
Weight
393 KB
Volume
23
Category
Article
ISSN
0022-4766

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Transition state structure of the formic
✍ JosΓ© L. AndrΓ©s; AgustΓ­ LledΓ³s; Juan BertrΓ‘n πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 307 KB

Isomeric proton transfer through a water molecule is studied using ab initio calculations. An important nuclear and electronic relaxation is obtained in the transition.state structure when the solvent molecules which cause the non-specific effect are considered using the continuum model. In solution