Computational Chemistry
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- 2018
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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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Design, Synthesis and Computational Study of Fluorinated Quinoxaline-Oligothiophene-based Conjugated Polymers with Broad Spectral Coverage
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- Contribution to journal › Article
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Mark
Multiscale study of crystal and electronic structure of Al defects in concrete
2018) International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018 2040.(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
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Mark
Coarse-grained model of titrating peptides interacting with lipid bilayers
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- Contribution to journal › Article
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Mark
Multiconfigurational short-range density-functional theory for open-shell systems
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- Contribution to journal › Article
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Mark
A novel mechanism of heme degradation to biliverdin studied by QM/MM and QM calculations
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- Contribution to journal › Article
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Mark
Rheology and shear jamming of frictional ellipses
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- Contribution to journal › Article
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Mark
Higher Flexibility of Glu-172 Explains the Unusual Stereospecificity of Glyoxalase i
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- Contribution to journal › Article
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New compact density matrix averaged ANO basis sets for relativistic calculations
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- Contribution to journal › Article
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Mark
Total Description of Intrinsic Amphiphile Aggregation : Calorimetry Study and Molecular Probing
(
- Contribution to journal › Article