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- 2016
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Mark
Computational characterization of competing energy and electron transfer states in bimetallic donor-acceptor systems for photocatalytic conversion
(
- Contribution to journal › Article
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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
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Mark
Extended Law of Corresponding States Applied to Solvent Isotope Effect on a Globular Protein
(
- Contribution to journal › Article
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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
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Mark
Chemical consequences of pyrazole orientation in RuII complexes of unsymmetric quinoline-pyrazole ligands
(
- Contribution to journal › Article
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Mark
Computational Studies of Molybdenum and Tungsten Enzymes
(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Attractive ion-ion correlation forces and the dielectric approximation
(
- Contribution to journal › Article
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Mark
Revised atomistic models of the crystal structure of C-S-H with high C/S ratio
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- Contribution to journal › Article
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Mark
QM/MM Calculations on Proteins
(
- Contribution to journal › Article
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Mark
Optimal Displacement Parameters in Monte Carlo Simulations
(
- Contribution to journal › Article