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Reorganization energy Ereorg and superposition energy correction EBSSE for donors and acceptors of selected complexes ( in kJ / mol ) EBSSE -8.0 -7.6 -2.7 -1.6 -1.7 Table 2. Enthalpy of dissociation AH diss 298 , the.
Reorganization energy Ereorg and superposition energy correction EBSSE for donors and acceptors of selected complexes ( in kJ / mol ) EBSSE -8.0 -7.6 -2.7 -1.6 -1.7 Table 2. Enthalpy of dissociation AH diss 298 , the.
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The energy of dissociation of Cn rings into various fragments ( AE , kcal / mol ) . Symbol tr stands for the triplet state , and AE ( Corr ) is the energy corrected with regard to ab initio calculation data ELECTRONIC STRUCTURE Ab ...
The energy of dissociation of Cn rings into various fragments ( AE , kcal / mol ) . Symbol tr stands for the triplet state , and AE ( Corr ) is the energy corrected with regard to ab initio calculation data ELECTRONIC STRUCTURE Ab ...
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Potential energy curve of the insertion of the D2 fragment into a three - membered ring ( Fig . 3 , configuration A ) obtained from SCF / 6-31G calculations . E ( kcal / mol ) is the difference between the energy of the system and the ...
Potential energy curve of the insertion of the D2 fragment into a three - membered ring ( Fig . 3 , configuration A ) obtained from SCF / 6-31G calculations . E ( kcal / mol ) is the difference between the energy of the system and the ...
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Vol 45 No 1 | 2 |
Estimates of the Thermochemical Properties of Mixed Oxides in the CuNbO System | 11 |
Interaction of Natural Borates with Potassium Hydroxide Solution | 17 |
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