Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

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  2025 Molecules article Chemistry Molecular Spectroscopy and Structure Open access

  3

  citations
• Coupled methyl internal rotations with intermediate and low torsional barriers in 2,5-dimethylanisole investigated by microwave spectroscopy

  2024 The Journal of Chemical Physics article Chemistry Molecular Spectroscopy and Structure Open access

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• Experimental and Theoretical Investigation of the Reaction of C2H with Formaldehyde (CH2O) at Very Low Temperatures and Application to Astrochemical Models

  2024 ACS Earth and Space Chemistry article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  3

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• Stability Descriptors for (Benz)imidazolium-Based Anion Exchange Membranes

  2024 Macromolecules article Engineering Fuel Cells and Related Materials Open access cited by 1 patent

  12

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• Surprising torsional barrier reduction in the coupled methyl internal rotations of 2,3-dimethylfuran observed by microwave spectroscopy

  2024 Physical Chemistry Chemical Physics article Chemistry Molecular Spectroscopy and Structure

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• Low Barrier Methyl Internal Rotations and 14N Quadrupole Coupling in the Microwave Spectrum of 2,4-Dimethylthiazole

  2023 The Journal of Physical Chemistry A article Chemistry Molecular Spectroscopy and Structure Open access

  14

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• Barrier to Methyl Internal Rotation and Equilibrium Structure of 2-Methylthiophene Determined by Microwave Spectroscopy

  2023 Spectroscopy Journal article Chemistry Molecular Spectroscopy and Structure Open access

  7

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• Benchmarking quantum chemical methods for accurate gas-phase structure predictions of carbonyl compounds: the case of ethyl butyrate

  2023 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  8

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• Benchmarking acetylthiophene derivatives: methyl internal rotations in the microwave spectrum of 2-acetyl-5-methylthiophene

  2022 Physical Chemistry Chemical Physics article Chemistry Molecular Spectroscopy and Structure

  11

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• Molecular-based asphalt oxidation reaction mechanism and aging resistance optimization strategies based on quantum chemistry

  2022 Materials & Design article Engineering Asphalt Pavement Performance Evaluation Open access

  75

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• Two methyl internal rotations of 2-acetyl-4-methylthiophene explored by microwave spectroscopy and quantum chemistry

  2022 Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy article Chemistry Molecular Spectroscopy and Structure Open access

  10

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• Determination of the semiexperimental equilibrium structure of 2-acetylthiophene in the presence of methyl internal rotation and substituent effects compared to thiophene

  2022 Physical Chemistry Chemical Physics article Chemistry Molecular Spectroscopy and Structure Open access

  13

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• Microwave Spectrum of Two‐Top Molecule: 2‐Acetyl‐3‐Methylthiophene

  2021 ChemPhysChem article Chemistry Molecular Spectroscopy and Structure Open access

  12

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13 results