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- 2008
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QM/MM-PBSA method to estimate free energies for reactions in proteins
(
- Contribution to journal › Article
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The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
(
- Contribution to journal › Article
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Mark
Proton transfer at metal sites in proteins studied by quantum mechanical free-energy perturbations
(
- Contribution to journal › Article