טוען...
Numerical Study on the Partitioning of the Molecular Polarizability into Fluctuating Charge and Induced Atomic Dipole Contributions
In order to carry out a detailed analysis of the molecular static polarizability, which is the response of the molecule to a uniform external electric field, the molecular polarizability was computed using the finite-difference method for 21 small molecules, using density functional theory. Within n...
שמור ב:
| הוצא לאור ב: | J Phys Chem A |
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| Main Authors: | , , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2015
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4521410/ https://ncbi.nlm.nih.gov/pubmed/25945749 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.5b03159 |
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