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Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics
In the present work, we employ excited state accelerated ab initio molecular dynamics (A-AIMD) to efficiently study the excited state energy landscape and photophysical topology of a variety of molecular systems. In particular, we focus on two important challenges for the modeling of excited electro...
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| Hlavní autoři: | , , , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American Chemical Society
2012
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| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3419466/ https://ncbi.nlm.nih.gov/pubmed/22904696 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200740r |
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