PSI4 1.4: Open-source software for high-throughput quantum chemistry DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ... The Journal of chemical physics 152 (18), 2020 | 610 | 2020 |
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ... Journal of chemical theory and computation 14 (7), 3504-3511, 2018 | 141 | 2018 |
Assessment of density functional methods for geometry optimization of bimolecular van der Waals complexes DA Sirianni, A Alenaizan, DL Cheney, CD Sherrill Journal of chemical theory and computation 14 (6), 3004-3013, 2018 | 31 | 2018 |
Quantum chemistry common driver and databases (QCDB) and quantum chemistry engine (QCEngine): Automation and interoperability among computational chemistry programs DGA Smith, AT Lolinco, ZL Glick, J Lee, A Alenaizan, TA Barnes, ... The Journal of chemical physics 155 (20), 2021 | 26 | 2021 |
Python implementation of the restrained electrostatic potential charge model A Alenaizan, LA Burns, CD Sherrill International Journal of Quantum Chemistry 120 (2), e26035, 2020 | 21 | 2020 |
Noncovalent Helicene Structure between Nucleic Acids and Cyanuric Acid A Alenaizan, K Fauche, R Krishnamurthy, CD Sherrill Chemistry–A European Journal 27 (12), 4043-4052, 2021 | 20 | 2021 |
Recent progress in polyaniline and its composites for supercapacitors S Shaheen Shah, S Oladepo, M Ali Ehsan, W Iali, A Alenaizan, ... The Chemical Record 24 (1), e202300105, 2024 | 17 | 2024 |
Solvent, temperature and concentration effects on the optical rotatory dispersion of (R)-3-methylcyclohexanone A Alenaizan, W Al-Basheer, MM Musa Journal of Molecular Structure 1130, 19-25, 2017 | 17 | 2017 |
X-ray Fiber Diffraction and Computational Analyses of Stacked Hexads in Supramolecular Polymers: Insight into Self-Assembly in Water by Prospective Prebiotic Nucleobases A Alenaizan, CH Borca, SC Karunakaran, AK Kendall, G Stubbs, ... Journal of the American Chemical Society 143 (16), 6079-6094, 2021 | 15 | 2021 |
Tuning DNA supramolecular polymers by the addition of small, functionalized nucleobase mimics C Lachance-Brais, CD Hennecker, A Alenaizan, X Luo, V Toader, ... Journal of the American Chemical Society 143 (47), 19824-19833, 2021 | 14 | 2021 |
The proto-Nucleic Acid Builder: a software tool for constructing nucleic acid analogs A Alenaizan, JL Barnett, NV Hud, CD Sherrill, AS Petrov Nucleic acids research 49 (1), 79-89, 2021 | 12 | 2021 |
Density functional theory study of the substituent effect on the structure, conformation and vibrational spectra in halosubstituted anilines K Haruna, AA Alenaizan, AA Al-Saadi RSC advances 6 (72), 67794-67804, 2016 | 7 | 2016 |
Constraint‐based analysis of a physics‐guided kinetic energy density expansion BH Aldossari, A Alenaizan, AH Al‐Aswad, FH Alharbi International Journal of Quantum Chemistry 123 (1), e27005, 2023 | 2 | 2023 |
Helicene Structure between DNA and Cyanuric Acid: The Role of Noncovalent Interactions A Alenaizan The Journal of Physical Chemistry B 126 (42), 8508-8514, 2022 | 2 | 2022 |
Structural and Thermodynamic Control of Supramolecular Polymers and DNA Assemblies with Cyanuric Acid: Influence of Substituents and Intermolecular Interactions GB Schuster, NV Hud, A Alenaizan The Journal of Physical Chemistry B 126 (50), 10758-10767, 2022 | 1 | 2022 |
Structural Analysis of the Poly (thymidine)–Melamine Assembly A Alenaizan The Journal of Physical Chemistry B 126 (36), 6948-6954, 2022 | 1 | 2022 |
Basis set customization for modeling noncovalent interactions A Alenaizan International Journal of Quantum Chemistry, e27183, 2023 | | 2023 |
Electron Donor, Acceptor, and Concentration-Dependent Quenching of Photoluminescent Carbon Nanodots H Almoalim, MY Alkhaldi, A Alenaizan, AS Jalilov The Journal of Physical Chemistry C 127 (26), 12640-12647, 2023 | | 2023 |