Ecoupling server: A tool to compute and analyze electronic couplings

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Author Spotlight: Emerging Technologies and Advanced Tools for Decoding Metabolomics Data Analysis
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Author Spotlight: Emerging Technologies and Advanced Tools for Decoding Metabolomics Data Analysis

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Israel Cabeza de Vaca1,2, Sandra Acebes1, Victor Guallar1,3

  • 1Joint BSC-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, Life Science Department, Electronic and Atomic Modeling Group, Nexus II, C/Jordi Girona, 29, Barcelona, 08034, Spain.

Journal of Computational Chemistry
|May 10, 2016
PubMed

Keywords:
Marcus theoryelectron couplingelectron transferfragment charge differencegeneralization of Mulliken Hush

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