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The Journal of Chemical Physics
|
September 8, 2022
Non-iterative method for constructing valence antibonding molecular orbitals and a molecule-adapted minimum basis
Abdulrahman Aldossary, Martin Head-Gordon
The Journal of Chemical Physics
|
February 15, 2023
Sparsity of the electron repulsion integral tensor using different localized virtual orbital representations in local second-order Møller-Plesset theory
Zhenling Wang, Abdulrahman Aldossary, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
December 20, 2021
Oxidation State Localized Orbitals: A Method for Assigning Oxidation States Using Optimally Fragment-Localized Orbitals and a Fragment Orbital Localization Index
Martí Gimferrer, Abdulrahman Aldossary, Pedro Salvador, et al.
Heliyon
|
July 26, 2021
An optimisation study of a solar tower receiver: the influence of geometry and material, heat flux, and heat transfer fluid on thermal and mechanical performance
Hashem Shatnawi, Chin Wai Lim, Firas Basim Ismail, et al.
Journal of the American Chemical Society
|
March 27, 2024
Chemical Bonding and the Role of Node-Induced Electron Confinement
Alistair J Sterling, Daniel S Levine, Abdulrahman Aldossary, et al.
Naunyn-Schmiedeberg'S Archives of Pharmacology
|
January 27, 2026
β-Carboline alkaloid harmaline alleviates hyperuricemia-mediated renal inflammation by suppressing oxidative stress
Ayush Kattna, Lovedeep Singh, Mohd Nazam Ansari, et al.
Journal of Chemical Theory and Computation
|
September 2, 2024
Local Second Order Mo̷ller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation
Tianyi Shi, Zhenling Wang, Abdulrahman Aldossary, et al.
Journal of Chemical Theory and Computation
|
October 25, 2023
Local Second-Order Møller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment
Zhenling Wang, Abdulrahman Aldossary, Tianyi Shi, et al.
Journal of Chemical Theory and Computation
|
August 14, 2019
Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis
Akshaya K Das, Lars Urban, Itai Leven, et al.
Journal of Chemical Theory and Computation
|
January 21, 2025
Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Mo̷ller-Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All Terms
Zhenling Wang, Kevin Ikeda, Hengyuan Shen, et al.
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Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
September 8, 2022
Non-iterative method for constructing valence antibonding molecular orbitals and a molecule-adapted minimum basis
Abdulrahman Aldossary, Martin Head-Gordon
The Journal of Chemical Physics
|
February 15, 2023
Sparsity of the electron repulsion integral tensor using different localized virtual orbital representations in local second-order Møller-Plesset theory
Zhenling Wang, Abdulrahman Aldossary, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
December 20, 2021
Oxidation State Localized Orbitals: A Method for Assigning Oxidation States Using Optimally Fragment-Localized Orbitals and a Fragment Orbital Localization Index
Martí Gimferrer, Abdulrahman Aldossary, Pedro Salvador, et al.
Heliyon
|
July 26, 2021
An optimisation study of a solar tower receiver: the influence of geometry and material, heat flux, and heat transfer fluid on thermal and mechanical performance
Hashem Shatnawi, Chin Wai Lim, Firas Basim Ismail, et al.
Journal of the American Chemical Society
|
March 27, 2024
Chemical Bonding and the Role of Node-Induced Electron Confinement
Alistair J Sterling, Daniel S Levine, Abdulrahman Aldossary, et al.
Naunyn-Schmiedeberg'S Archives of Pharmacology
|
January 27, 2026
β-Carboline alkaloid harmaline alleviates hyperuricemia-mediated renal inflammation by suppressing oxidative stress
Ayush Kattna, Lovedeep Singh, Mohd Nazam Ansari, et al.
Journal of Chemical Theory and Computation
|
September 2, 2024
Local Second Order Mo̷ller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation
Tianyi Shi, Zhenling Wang, Abdulrahman Aldossary, et al.
Journal of Chemical Theory and Computation
|
October 25, 2023
Local Second-Order Møller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment
Zhenling Wang, Abdulrahman Aldossary, Tianyi Shi, et al.
Journal of Chemical Theory and Computation
|
August 14, 2019
Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis
Akshaya K Das, Lars Urban, Itai Leven, et al.
Journal of Chemical Theory and Computation
|
January 21, 2025
Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Mo̷ller-Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All Terms
Zhenling Wang, Kevin Ikeda, Hengyuan Shen, et al.
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