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Organic reactions machine-readable reaction schemes "ORD" [8] 2,000,000 OrgSyn Organic Syntheses: Organic Syntheses, Inc. Reliable chemical reactions Searchable experimental procedures Peer reviewed "OrgSyn search". PDB PDBe Protein Data Bank in Europe EMBL-EBI: has some chemicals as well as proteins "PDBe". PATENTSCOPE: WIPO "PATENTSCOPE ...
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Free open source: Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA 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
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 .
Organic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, and reactions of organic compounds and organic materials, i.e., matter in its various forms that contain carbon atoms. [1]
LibreTexts' current primary support is from the 2018 Open Textbook Pilot Program award from the Department of Education Organization Act. [7] [10] [5] [11] FIPSE [12] Other funding comes from the University of California Davis, the University of California Davis Library, [5] and the California State University System both through MERLOT and its Affordable Learning Solutions (AL$) program.
3D computer graphics, sometimes called CGI, 3D-CGI or three-dimensional computer graphics, are graphics that use a three-dimensional representation of geometric data (often Cartesian) that is stored in the computer for the purposes of performing calculations and rendering digital images, usually 2D images but sometimes 3D images.
An example of computer animation which is produced from the "motion capture" techniqueComputer animation is the process used for digitally generating moving images. The more general term computer-generated imagery (CGI) encompasses both still images and moving images, while computer animation only refers to moving images.