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Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] and thermochemical recipes including G3(MP2) [6] and T1. [7]
Calmagite is a complexometric indicator used in analytical chemistry to identify the presence of metal ions in solution. As with other metal ion indicators calmagite will change color when it is bound to an ion. Calmagite will be wine red when it is bound to a metal ion and may be blue, red, or orange when it is not bound to a metal ion.
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.
In electric power distribution networks, a fault indicator is a device which provides visual or remote indication of a fault on the electric power system. Also called a faulted circuit indicator (FCI), [1] the device is used in electric power distribution networks as a means of automatically detecting and identifying faults to reduce outage time.
Download QR code; Print/export ... Chemical formula. C 30 H 20 N 4 O 11 S 3 ... Fast Sulphon Black F is a complexometric indicator used with EDTA, ...
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.
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 ...
Fault detection, isolation, and recovery (FDIR) is a subfield of control engineering which concerns itself with monitoring a system, identifying when a fault has occurred, and pinpointing the type of fault and its location. Two approaches can be distinguished: A direct pattern recognition of sensor readings that indicate a fault and an analysis ...