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A convenient set of vibrational coordinates for 2D calculation of the tunneling splittings of the ground state and some excited vibrational states for the inversion motion in H<sub>3</sub>O<sup>+</sup>, H<sub>3</sub>O<sup>-</sup>, and H<sub>3</sub>O.
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How symmetry helps to improve the estimation of the hyperfine splitting of torsional levels due to tunneling. The case of the HSSSH molecule.
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Explicitly correlated and CBS study of the internal rotation in CH<sub>3</sub>SH, CH<sub>3</sub>SD, CD<sub>3</sub>SH, CD<sub>3</sub>SD, <sup>13</sup>CH<sub>3</sub>SH, and CH<sub>3</sub><sup>34</sup>SH molecules, including corrections on anharmonic ZPVE and relativistic effects.
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Torsional States and Tunneling Probability in HOSOH, DOSOD, and DOSOH Molecules Analyzed at the CBS Limit.
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Application of deep learning and molecular modeling to identify small drug-like compounds as potential HIV-1 entry inhibitors.
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The origin of different iridium oxidation states of Sr<sub>2</sub>IrO<sub>4</sub>.
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Technology adoption review for ageing well: analysis of technical solutions.
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Research in the Commonwealth of Independent States on Superconducting Materials: Current State and Prospects.
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Intelligent Mining of Urban Ventilation Corridors Based on High-Precision Oblique Photographic Images.
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On Some Scientific Results of the 15th International Conference PRIP-2021
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- not scoredPublication version: A publication version was supplied but is not scored.
- cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty.