2020
DOI: 10.1007/s00214-020-02630-y
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W2SDD theory for computational thermochemistry: study of the addition of hydrogen halide to propene

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Cited by 8 publications
(2 citation statements)
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“…[10][11][12] Several search groups have successfully used the above mentioned basis set (see, e.g., Refs. [13][14][15][16][17][18][19][20][21]).…”
Section: Introductionmentioning
confidence: 99%
“…[10][11][12] Several search groups have successfully used the above mentioned basis set (see, e.g., Refs. [13][14][15][16][17][18][19][20][21]).…”
Section: Introductionmentioning
confidence: 99%
“…This model, known as hybrid discrete-continuum, 19 is useful for studying solvent effects on reaction mechanisms and energies [20][21][22][23] as well as on electronic and vibrational spectra. [24][25][26][27][28][29] It has also been shown to be relevant for ion solvation. [30][31][32] Recently Morgon et al found that, using only the implicit solvation model, it was not possible to identify the inversion of the circular dichroism signal in naproxen.…”
Section: Introductionmentioning
confidence: 99%