Computational Chemistry
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- 2010
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Mark
Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies
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- Contribution to journal › Article
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Mark
Genetic analysis shows that Rubus vikensis is a distinct species with a disjunct distribution
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- Contribution to journal › Article
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Mark
Ligand affinities estimated by quantum chemical calculations
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- Contribution to journal › Article
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Mark
Calculations of accurate energies in proteins with QM/MM methods
2010)(
- Thesis › Doctoral thesis (compilation)
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Mark
Rubus sordirosanthus in Halland, southwest Sweden
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- Contribution to journal › Article
- 2009
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Mark
Do quantum mechanical energies calculated for small models of protein-active sites converge?
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- Contribution to journal › Article
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Mark
Calculation of Protein-Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects
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- Contribution to journal › Article
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Mark
Simulations of latex particles immersed in dendrimer solutions.
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- Contribution to journal › Article
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Mark
Ion-Ion Correlation and Charge Reversal at Titrating Solid Interfaces
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- Contribution to journal › Article
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Mark
An ab initio investigation of the mechanisms of photodissociation in bromobenzene and iodobenzene
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- Contribution to journal › Article