Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations
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- Paul Clabaut
- Univ. Lyon, ENS de Lyon, CNRS UMR 5182, Université Claude Bernard Lyon 1, Laboratorie de Chimie, F-69342 Lyon, France
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- Benjamin Schweitzer
- Univ. Lyon, ENS de Lyon, CNRS UMR 5182, Université Claude Bernard Lyon 1, Laboratorie de Chimie, F-69342 Lyon, France
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- Andreas W. Götz
- San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States
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- Carine Michel
- Univ. Lyon, ENS de Lyon, CNRS UMR 5182, Université Claude Bernard Lyon 1, Laboratorie de Chimie, F-69342 Lyon, France
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- Stephan N. Steinmann
- Univ. Lyon, ENS de Lyon, CNRS UMR 5182, Université Claude Bernard Lyon 1, Laboratorie de Chimie, F-69342 Lyon, France
Journal
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 16 (10), 6539-6549, 2020-09-15
American Chemical Society (ACS)
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Details 詳細情報について
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- CRID
- 1360016869795462272
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- ISSN
- 15499626
- 15499618
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- Data Source
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- Crossref