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- 2018
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Mark
Replicate or alternate? Isotropic boundary conditions and implications for Ewald summation
(
- Contribution to journal › Article
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Mark
Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods
(
- Contribution to journal › Article
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Mark
Reaction mechanism of formate dehydrogenase studied by computational methods
(
- Contribution to journal › Article
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Mark
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
(
- Contribution to journal › Article
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Mark
New compact density matrix averaged ANO basis sets for relativistic calculations
(
- Contribution to journal › Article
-
Mark
Total Description of Intrinsic Amphiphile Aggregation : Calorimetry Study and Molecular Probing
(
- Contribution to journal › Article
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Mark
QM/MM free-energy perturbation and other methods to estimate ligand-binding affinities
2018)(
- Thesis › Doctoral thesis (compilation)
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Mark
Many-body depletion forces of colloids in a polydisperse polymer dispersant in the long-chain limit
(
- Contribution to journal › Article
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Mark
Design, Synthesis and Computational Study of Fluorinated Quinoxaline-Oligothiophene-based Conjugated Polymers with Broad Spectral Coverage
(
- Contribution to journal › Article
-
Mark
Theoretical Studies Using Simple Ionic Liquid Models
2018)(
- Thesis › Doctoral thesis (compilation)