Full-dimensional potential energy surface for acetylacetone and tunneling splittings
نویسندگان
چکیده
New, full-dimensional potential energy surface for acetylacetone allows description of H-tunneling dynamics and characterization stationary points.
منابع مشابه
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d0cp04221h