241 – 250 of 912
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=" "
width=" "
height=" "
allowtransparency="true"
frameborder="0">
</iframe>
- 2016
-
Mark
Computational characterization of competing energy and electron transfer states in bimetallic donor-acceptor systems for photocatalytic conversion
(
- Contribution to journal › Article
-
Mark
Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of NiII-LnIII-WV Heterotrimetallics : Understanding the SMM Behavior of Mixed Polynuclear Complexes
(
- Contribution to journal › Article
-
Mark
Modeling and simulation of intrinsically disordered proteins
2016)(
- Thesis › Doctoral thesis (compilation)
-
Mark
UPS and DFT investigation of the electronic structure of gas-phase trimesic acid
(
- Contribution to journal › Article
-
Mark
Catalytic mechanism of human glyoxalase i studied by quantum-mechanical cluster calculations
(
- Contribution to journal › Article
-
Mark
Molecular Dynamics Simulations of Intrinsically Disordered Proteins: On the Accuracy of the TIP4P‐D Water Model and the Representativeness of Protein Disorder Models
(
- Contribution to journal › Article
-
Mark
Extended Law of Corresponding States Applied to Solvent Isotope Effect on a Globular Protein
(
- Contribution to journal › Article
-
Mark
Attractive ion-ion correlation forces and the dielectric approximation
(
- Contribution to journal › Article
-
Mark
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
(
- Contribution to journal › Article
-
Mark
Does the DFT Self-Interaction Error Affect Energies Calculated in Proteins with Large QM Systems?
(
- Contribution to journal › Article