Computational Chemistry
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- 2016
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Mark
Theoretical predictions of structures in dispersions containing charged colloidal particles and non-adsorbing polymers
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- Contribution to journal › Article
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Mark
Attractive ion-ion correlation forces and the dielectric approximation
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- 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
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
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- Contribution to journal › Article
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Mark
Fe N-Heterocyclic Carbene Complexes as Promising Photosensitizers
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- Contribution to journal › Article
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Mark
Modeling and simulation of intrinsically disordered proteins
2016)(
- Thesis › Doctoral thesis (compilation)
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Mark
Computational characterization of competing energy and electron transfer states in bimetallic donor-acceptor systems for photocatalytic conversion
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- Contribution to journal › Article
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Mark
Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution
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- Contribution to journal › Article
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Chemical consequences of pyrazole orientation in RuII complexes of unsymmetric quinoline-pyrazole ligands
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- Contribution to journal › Article
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Mark
Osmotic pressures of lysozyme solutions from gas-like to crystal states
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- Contribution to journal › Article