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This is a list of ELN software packages. It is incomplete, as a recent review listed 96 active & 76 inactive (172 total) ELN products. [ 4 ] Notably, this review and other lists of ELN software often do not include widely used generic notetaking software like Onenote , Notion , Jupyter etc, due to their lack ELN nominal features like time ...
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods .
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 ...
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).
Download QR code; Print/export ... Free chemistry software (16 P) M. Mass spectrometry software (21 P) Pages in category "Chemistry software"
Download QR code; Print/export Download as PDF; Printable version; ... Help. Pages in category "Free chemistry software" The following 16 pages are in this category ...
GAMESS is a computational chemistry software program and stands for General Atomic and Molecular Electronic Structure System.The original Quantum Chemistry Program Exchange (QCPE) code of GAMESS split in 1981 and now the three version differ considerably:
Free open-source, GPL C++, Qt, extensible via Python modules BALL: Molecular dynamics MM NMR: LGPL open-source: Standalone program [7] Cn3D: Free open-source: Standalone program [8] In the NCBI C++ toolkit Coot: XRD: Free open-source: Gabedit: XRD MM: Free open-source: C [9] Jmol: Free open-source: Java (applet or standalone program) Transpiled ...