Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

• Bond Dissociation Energies, Proton, Hydride, Electron Affinities, and Ionization Potentials of C1 Hydrocarbon Ions

  2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies

  0

  citations
• The Grand Canonical General-Purpose Reactivity Indicator: A Conceptual DFT Approach to Predict Molecular Reactivity and Experimental Electrophilicity and Nucleophilicity Scales

  2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  3

  citations
• Replacing Doping in Nano-Silicon: Ultimate Miniaturization, Energy Efficiency, and Cryo-Functionality

  2025 ACS Applied Materials & Interfaces article Engineering Advancements in Semiconductor Devices and Circuit Design Open access

  2

  citations
• MolBar: A Molecular Identifier for Inorganic and Organic Molecules with Full Support of Stereoisomerism

  2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

  3

  citations
• MolBar: a molecular identifier for inorganic and organic molecules with full support of stereoisomerism

  2024 Digital Discovery article Chemistry Chemistry and Stereochemistry Studies Open access cited by 2 patents

  14

  citations
• Post-Transition-State Dynamic Effects in the Transmetalation of Pd(II)-F to Pd(II)-CF3

  2023 JACS Au article Pharmacology, Toxicology and Pharmaceutics Fluorine in Organic Chemistry Open access

  8

  citations
• Azobenzene-based optoelectronic transistors for neurohybrid building blocks

  2023 Nature Communications article Materials Science Conducting polymers and applications Open access

  106

  citations
• Origin and Quantitative Description of the NESSIAS Effect at Si Nanostructures

  2023 Advanced Physics Research article Materials Science Silicon Nanostructures and Photoluminescence Open access

  2

  citations
• Self-Assembled Liposomes Enhance Electron Transfer for Efficient Photocatalytic CO 2 Reduction

  2022 Journal of the American Chemical Society article Energy CO2 Reduction Techniques and Catalysts Open access

  82

  citations
• Turning Low-Nanoscale Intrinsic Silicon Highly Electron-Conductive by SiO2 Coating

  2021 ACS Applied Materials & Interfaces article Materials Science Silicon Nanostructures and Photoluminescence Open access

  9

  citations

10 results