January 13, 2006 article Semiempirical hybrid density functional with perturbative second-order correlation The Journal of Chemical Physics DOI: 10.1063/1.2148954 OpenAlex Authors 0 Author list not loaded yet. Cited by 15 stored of 3,458 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access ChemRefine: An Open-Source Automated and Interoperable Platform for Machine Learning and Quantum Chemistry Simulations 2026 Journal of Chemical Theory and Computation article Materials Science Machine Learning in Materials Science Open access 4 citations 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 Computational Investigation of the High-Temperature Chemistry of Small Hydroxy Ethers: Methoxymethanol, Ethoxymethanol, and 2-Methoxyethanol 2024 The Journal of Physical Chemistry A article Chemical Engineering Advanced Combustion Engine Technologies 3 citations A revised reaction kinetic mechanism for the oxidation of methyl formate 2023 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies 8 citations The first HyDRA challenge for computational vibrational spectroscopy 2023 Physical Chemistry Chemical Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access 37 citations Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation 2022 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies Open access 21 citations Tuning the photophysical properties of BODIPY dyes used in DSSCs as predicted by double‐hybrid TD‐DFT : The role of the methyl substituents 2022 International Journal of Quantum Chemistry article Energy TiO2 Photocatalysis and Solar Cells 19 citations Geometrical benchmarking and analysis of redox potentials of copper(I/ II ) guanidine‐quinoline complexes: Comparison of semi‐empirical tight‐binding and DFT methods and the challenge of describing the entatic state (part III ) 2022 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access 13 citations 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 citations Accurate predictions of the electronic excited states of BODIPY based dye sensitizers using spin-component-scaled double-hybrid functionals: a TD-DFT benchmark study 2022 RSC Advances article Physics and Astronomy Advanced Chemical Physics Studies Open access 40 citations Combined experimental and theoretical study on photoionization cross sections of benzonitrile and o / m / p -cyanotoluene 2021 The Journal of Chemical Physics article Physics and Astronomy Atomic and Molecular Physics 6 citations Equilibrium Structure in the Presence of Methyl Internal Rotation: Microwave Spectroscopy and Quantum Chemistry Study of the Two Conformers of 2-Acetylfuran 2021 The Journal of Physical Chemistry A article Chemistry Molecular Spectroscopy and Structure 15 citations Reaction Mechanisms and Rate Constants of Auto‐Catalytic Urethane Formation and Cleavage Reactions 2021 ChemistryOpen article Chemistry Chemical Reaction Mechanisms Open access cited by 1 patent 25 citations The impact of NO x addition on the ignition behaviour of n -pentane 2021 Reaction Chemistry & Engineering article Chemical Engineering Advanced Combustion Engine Technologies 15 citations Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents 2020 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies 48 citations 15 results References 0