April 16, 2020 article Open access Recent developments in the general atomic and molecular electronic structure system The Journal of Chemical Physics DOI: 10.1063/5.0005188 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 6 stored of 1,496 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 Unraveling donor-acceptor bonding in X 3 B-P Y 3 and X 3 B-As Y 3 ( X = H, F, Cl, Br; Y = CH3, F, Cl, Br) complexes: The interplay of halogen back-donation, charge polarization and covalency 2025 Computational and Theoretical Chemistry article Chemistry Crystallography and molecular interactions Open access 1 citations Acceleration of Semiempirical Electronic Structure Theory Calculations on Consumer-Grade GPUs Using Mixed-Precision Density Matrix Purification 2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 3 citations Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations 2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access 58 citations Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations 2023 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access 1 citations Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCE ngine ): Automation and interoperability among computational chemistry programs 2021 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 52 citations Investigation of the protolytic equilibrium of a highly Brønsted acidic ionic liquid and residual water using Raman spectroscopy 2021 Journal of Molecular Liquids article Chemical Engineering Ionic liquids properties and applications 3 citations 6 results References 0