Density functional theory study of the substituent effect on the structure, conformation and vibrational spectra in halosubstituted anilines von Haruna, Kabiru, Alenaizan, Asem A., Al-Saadi, Abdulaziz A.

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Density functional theory study of the substituent effect on the structure, conformation and vibrational spectra in halosubstituted anilinesElectronic supplementary information (ES... von Haruna, Kabiru, Alenaizan, Asem A, Al-Saadi, Abdulaziz A

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Helicene Structure between DNA and Cyanuric Acid: The Role of Noncovalent Interactions von Alenaizan, Asem

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Structural Analysis of the Poly(thymidine)–Melamine Assembly von Alenaizan, Asem

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Basis set customization for modeling noncovalent interactions von Alenaizan, Asem

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PSI4 1.4: Open-source software for high-throughput quantum chemistry von Smith, Daniel G. A., Burns, Lori A., Simmonett, Andrew C., Parrish, Robert M., Schieber, Matthew C., Galvelis, Raimondas, Kraus, Peter, Kruse, Holger, Di Remigio, Roberto, Alenaizan, Asem, James, Andrew M., Lehtola, Susi, Misiewicz, Jonathon P., Scheurer, Maximilian, Shaw, Robert A., Schriber, Jeffrey B., Xie, Yi, Glick, Zachary L., Sirianni, Dominic A., O’Brien, Joseph Senan, Waldrop, Jonathan M., Kumar, Ashutosh, Hohenstein, Edward G., Pritchard, Benjamin P., Brooks, Bernard R., Schaefer, Henry F., Sokolov, Alexander Yu, Patkowski, Konrad, DePrince, A. Eugene, Bozkaya, Uğur, King, Rollin A., Evangelista, Francesco A., Turney, Justin M., Crawford, T. Daniel, Sherrill, C. David

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Electron Donor, Acceptor, and Concentration-Dependent Quenching of Photoluminescent Carbon Nanodots von Almoalim, Hassan, Alkhaldi, Malak Yahya, Alenaizan, Asem, Jalilov, Almaz S.

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P SI4 1.4: Open-source software for high-throughput quantum chemistry von Smith, Daniel G. A., Burns, Lori A., Simmonett, Andrew C., Parrish, Robert M., Schieber, Matthew C., Galvelis, Raimondas, Kraus, Peter, Kruse, Holger, Di Remigio, Roberto, Alenaizan, Asem, James, Andrew M., Lehtola, Susi, Misiewicz, Jonathon P., Scheurer, Maximilian, Shaw, Robert A., Schriber, Jeffrey B., Xie, Yi, Glick, Zachary L., Sirianni, Dominic A., O’Brien, Joseph Senan, Waldrop, Jonathan M., Kumar, Ashutosh, Hohenstein, Edward G., Pritchard, Benjamin P., Brooks, Bernard R., Schaefer, Henry F., Sokolov, Alexander Yu, Patkowski, Konrad, DePrince, A. Eugene, Bozkaya, Uğur, King, Rollin A., Evangelista, Francesco A., Turney, Justin M., Crawford, T. Daniel, Sherrill, C. David

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Noncovalent Helicene Structure between Nucleic Acids and Cyanuric Acid von Alenaizan, Asem, Fauché, Kévin, Krishnamurthy, Ramanarayanan, Sherrill, C. David

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Structural and Thermodynamic Control of Supramolecular Polymers and DNA Assemblies with Cyanuric Acid: Influence of Substituents and Intermolecular Interactions von Schuster, Gary B., Hud, Nicholas V., Alenaizan, Asem

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Python implementation of the restrained electrostatic potential charge model von Alenaizan, Asem, Burns, Lori A., Sherrill, C. David

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P si 4N um P y : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development von Smith, Daniel G. A., Burns, Lori A., Sirianni, Dominic A., Nascimento, Daniel R., Kumar, Ashutosh, James, Andrew M., Schriber, Jeffrey B., Zhang, Tianyuan, Zhang, Boyi, Abbott, Adam S., Berquist, Eric J., Lechner, Marvin H., Cunha, Leonardo A., Heide, Alexander G., Waldrop, Jonathan M., Takeshita, Tyler Y., Alenaizan, Asem, Neuhauser, Daniel, King, Rollin A., Simmonett, Andrew C., Turney, Justin M., Schaefer, Henry F., Evangelista, Francesco A., DePrince, A. Eugene, Crawford, T. Daniel, Patkowski, Konrad, Sherrill, C. David

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Electrostatically embedded symmetry-adapted perturbation theory von Glick, Caroline S., Alenaizan, Asem, Cheney, Daniel L., Cavender, Chapin E., Sherrill, C. David

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Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes von Sirianni, Dominic A, Alenaizan, Asem, Cheney, Daniel L, Sherrill, C. David

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Solvent, temperature and concentration effects on the optical rotatory dispersion of (R)-3-methylcyclohexanone von Alenaizan, Asem, Al-Basheer, Watheq, Musa, Musa M.

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The proto-Nucleic Acid Builder: a software tool for constructing nucleic acid analogs von Alenaizan, Asem, Barnett, Joshua L, Hud, Nicholas V, Sherrill, C David, Petrov, Anton S

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Tuning DNA Supramolecular Polymers by the Addition of Small, Functionalized Nucleobase Mimics von Lachance-Brais, Christophe, Hennecker, Christopher D, Alenaizan, Asem, Luo, Xin, Toader, Violeta, Taing, Monica, Sherrill, C. David, Mittermaier, Anthony K, Sleiman, Hanadi F

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Recent Progress in Polyaniline and its Composites for Supercapacitors von Shaheen Shah, Syed, Oladepo, Sulayman, Ali Ehsan, Muhammad, Iali, Wissam, Alenaizan, Asem, Nahid Siddiqui, Mohammad, Oyama, Munetaka, Al‐Betar, Abdul‐Rahman, Aziz, Md. Abdul

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Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development von Smith, Daniel G. A, Burns, Lori A, Sirianni, Dominic A, Nascimento, Daniel R, Kumar, Ashutosh, James, Andrew M, Schriber, Jeffrey B, Zhang, Tianyuan, Zhang, Boyi, Abbott, Adam S, Berquist, Eric J, Lechner, Marvin H, Cunha, Leonardo A, Heide, Alexander G, Waldrop, Jonathan M, Takeshita, Tyler Y, Alenaizan, Asem, Neuhauser, Daniel, King, Rollin A, Simmonett, Andrew C, Turney, Justin M, Schaefer, Henry F, Evangelista, Francesco A, Crawford, T. Daniel, Patkowski, Konrad, Sherrill, C. David

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Constraint‐based analysis of a physics‐guided kinetic energy density expansion von Aldossari, Bader H., Alenaizan, Asem, Al‐Aswad, Abdulaziz H., Alharbi, Fahhad H.

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