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Non-empirical calculations on the intramolecular rearrangement in the dimer of formic acid

โœ Scribed by E. Ady; J. Brickmann


Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
499 KB
Volume
11
Category
Article
ISSN
0009-2614

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Ionic solvation in formic acid. A compar
โœ B.M. Rode; M. Breuss; P. Schuster ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 484 KB

Tk e&Y surface for the planar Li+/HCOOH cotiplev is treated by means of ab initio &.lculations with a minimal GLO basis set: For several selected geometries, tlx results are compared' with those ob&ed 'tiith a larger basis set. Jn contrast :. to sk+etipirical calculations, the energy minimum for the