Useful Links

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Programming and related resources

• w3schools - HTML and CSS reference;
• Miniconda - Python distribution for scientific computing;
• tutorialspoint - Fortran Tutorial;
• CotEditor - Plain-text editor for macOS;
• Sublime Text - Multiplatform plain-text editor;
• MacPorts - Package management system for macOS;
• MacTeX - TeX distribution for macOS;
• Atom - Multiplatform plain-text editor;
• Python - Tutorial;
• Pandas - Datastructure and analysis library for Python;
• Matplotlib - 2D plotting library for Python;
• doi2bib - BibTex generator from DOI;
• Tables Generator - Table tool for LaTeX;

Electronic structure and molecular visualization softwares

• SCM;
• ORCA;
• Gaussian;
• CP2K;
• Quantum Espresso;
• Packmol;
• Dalton;
• DIRAC;
• Tinker Molecular Modeling;
• Natural Bond Orbital;
• QTAIM;
• NCIPLOT;
• Exa Analytics;
• NBO;
• LigParGen;
• BURAI;
• XCrySDen;
• MOLDEN;
• Avogadro;
• Gabedit;
• Jmol;
• VMD;
• VMD Tutorial;

Databases

• CCCBDB - Experimental and computed quantum mechanics thermochemical data of gas-phase and small molecules;
• Basis Set Exchange - Up-to-date resource for the molecular sciences community;
• Chem 605 - Structure Determination Using Spectroscopic Methods;

Operating Systems

• FreeBSD® - Unix-like open-source operating system;
• openSUSE® - Linux distribution;
• Ubuntu - Linux distribution;