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- 2019
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Mark
Mechanism and rate constants of the CH2 + CH2CO reactions in triplet and singlet states : A theoretical study
(
- Contribution to journal › Article
- 2018
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Mark
Can MM/GBSA calculations be sped up by system truncation?
(
- Contribution to journal › Article
- 2016
-
Mark
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level
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- Contribution to journal › Article
- 1998
-
Mark
Comparison of methods for deriving atomic charges from the electrostatic potential and moments
(
- Contribution to journal › Scientific review