Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks
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DOI: 10.3390/molecules28020913
Abstract: The interplay of high-resolution rotational spectroscopy and quantum-chemical computations plays an invaluable role in the investigation of biomolecule building blocks in the gas phase. However, quantum-chemical methods suffer from unfavorable scaling with the dimension of… read more here.
Keywords: spectroscopy parameters; toward accurate; spectroscopy; building blocks ... See more keywords