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-1) is IR-disallowed for the isolated anion but is visible in aqueous solution.
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-1) is IR-disallowed for the isolated anion but is visible in aqueous solution.
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It has been shown previously that the constant part of these average force gradients could result in blue shifting relative to the vacuum
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77249126563
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-1.
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-1.
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43
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77249166208
-
-
2 is already small (see eq 13), these additions can be ignored.
-
2 is already small (see eq 13), these additions can be ignored.
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-
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44
-
-
77249131393
-
-
-1, owing to the Maxwell Boltzmann shape of the distribution.
-
-1, owing to the Maxwell Boltzmann shape of the distribution.
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45
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-
0004060193
-
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Apropos the basis set, we actually use a "polar" version that is related to the traditional set by a complex linear transformation. This alternate basis is well suited for the treatment of degenerate vibrations and renders the identification and application of symmetry properties very simple; see: Wiley: New York, In particular, each polar basis function is either already of a defined symmetry type or requires only a pair combination. Once the eigenstates are computed in this basis, we switch back to the traditional basis at a suitable stage.
-
Apropos the basis set, we actually use a "polar" version that is related to the traditional set by a complex linear transformation. This alternate basis is well suited for the treatment of degenerate vibrations and renders the identification and application of symmetry properties very simple; see: Cohen-Tannoudji, C.; Diu, B.; Laloeμ, F. Quantum Mechanics; Wiley: New York, 1977; Vol.1. In particular, each polar basis function is either already of a defined symmetry type or requires only a pair combination. Once the eigenstates are computed in this basis, we switch back to the traditional basis at a suitable stage.
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Cohen-Tannoudji, C.1
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77249136481
-
-
3 excitation decay to the water solvent is via the 2ν4 states as the doorway.
-
3 excitation decay to the water solvent is via the 2ν4 states as the doorway.
-
-
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47
-
-
77249115847
-
-
o,l, that occur along the diagonal in eq 15 will be replaced by their all-mode values. The latter are given in Table 2.
-
o,l, that occur along the diagonal in eq 15 will be replaced by their all-mode values. The latter are given in Table 2.
-
-
-
-
48
-
-
0003437218
-
-
This frequency shift is incorrect for Q1 itself. The appropriate treatment may be found, for instance, in: 2nd ed.; Addison-Wesley: Reading, MA, However, we do not need such refinement to make our case presently.
-
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Goldstein, H.1
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77249102201
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2 is symmetry-disallowed.
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2) is symmetry-disallowed.
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50
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-
77249170396
-
-
3 in character.
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3 in character.
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51
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0000801128
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