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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.
Help. Chemistry portal; Subcategories. This category has the following 6 subcategories, out of 6 total. C. Chemical file ... Pages in category "Chemistry software"
Help. Chemistry portal; Subcategories. This category has the following 3 subcategories, out of 3 total. ... Pages in category "Computational chemistry software"
Help; Learn to edit ... Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, ... Molecular design software; List ...
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
The GAMESS (US) software also provides a comprehensive bonding analysis technique based on the Quasi-Atomic Orbital (QUAO) analysis proposed by professor Klaus Ruedenberg. The QUAO analysis provides a quasi-atomical perspective of bonding molecular orbitals in molecules. These are oriented orbitals which show the bonding direction.
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