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  2. Download, install, or uninstall AOL Desktop Gold - AOL Help

    help.aol.com/articles/aol-desktop-downloading...

    Learn how to download and install or uninstall the Desktop Gold software and if your computer meets the system requirements. ... MB of free space on your hard drive ...

  3. GAMESS (US) - Wikipedia

    en.wikipedia.org/wiki/GAMESS_(US)

    GAMESS (US) can perform several general computational chemistry calculations, including Hartree–Fock method, density functional theory (DFT), generalized valence bond (GVB), and multi-configurational self-consistent field (MCSCF).

  4. Firefly (computer program) - Wikipedia

    en.wikipedia.org/wiki/Firefly_(computer_program)

    Firefly, formerly named PC GAMESS, is an ab initio computational chemistry program for Intel-compatible x86, x86-64 processors based on GAMESS (US) sources. However, it has been mostly rewritten (60-70% of the code), especially in platform-specific parts (memory allocation, disk input/output, network), mathematic functions (e.g., matrix operations), and quantum chemistry methods (such as ...

  5. Open Babel - Wikipedia

    en.wikipedia.org/wiki/Open_Babel

    Open Babel is a free chemical informatics software designed to facilitate the conversion of Chemical file formats and manage molecular data. [3] It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides both a comprehensive library and command-line ...

  6. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...

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    Get answers to your AOL Mail, login, Desktop Gold, AOL app, password and subscription questions. Find the support options to contact customer care by email, chat, or phone number.

  8. AOL Desktop Gold - AOL Help

    help.aol.com/products/new-aol-desktop

    Download, install, or uninstall AOL Desktop Gold Learn how to download and install or uninstall the Desktop Gold software and if your computer meets the system requirements. Desktop Gold · Feb 20, 2024

  9. PSI (computational chemistry) - Wikipedia

    en.wikipedia.org/wiki/PSI_(computational_chemistry)

    Psi is an ab initio computational chemistry package originally written by the research group of Henry F. Schaefer, III (University of Georgia).Utilizing Psi, one can perform a calculation on a molecular system with various kinds of methods such as Hartree-Fock, Post-Hartree–Fock electron correlation methods, and density functional theory.

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