Parametrization and Benchmark of DFTB3 for Organic Molecules
- Authors
- Michael GausMarcus Elstner
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About Parametrization and Benchmark of DFTB3 for Organic Molecules
This paper, published in 2012, received 790 indexed citations . Written by Michael Gaus and Marcus Elstner covering the research area of Atomic and Molecular Physics, and Optics and Physical and Theoretical Chemistry. It is primarily cited by scholars working on Materials Chemistry (315 citations), Atomic and Molecular Physics, and Optics (285 citations), Molecular Biology (202 citations), Physical and Theoretical Chemistry (136 citations) and Spectroscopy (133 citations). Published in Journal of Chemical Theory and Computation.
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This paper is also available at doi.org/10.1021/ct300849w.