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SIESTA (computer program) Spartan (chemistry software) Spinach (software) T. TeraChem; TURBOMOLE; V. Valence bond programs; Vienna Ab initio Simulation Package; W ...
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 the 2000s, public transport route planners / intermodal journey planners have proliferated and offer traveller the convenience that the computer program looks at all timetables so the traveller doesn't need to. A "timetable" may also refer to the same information in abstract form, not specifically published, e.g.
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.
System Mechanic is an easy solution for optimal PC performance and simple computing. Once downloaded, it helps speed up slow computers by removing unnecessary software and files and fixes problems ...
Bustimes.org is a transportation information website created to take advantage of Bus Services Act 2017 requirement for bus operators in England to provide bus timetables, fares and vehicle locations in an open data format, which can be utilised by app and website developers. [2] This DfT service is called the Bus Open Data Service.
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 principles of his software program was published in a Dutch university paper in 1991 [9] This was soon expanded to include all public transport in the Netherlands. Another pioneer was Hans-Jakob Tobler in Switzerland. His product Finajour, which ran for PC DOS and MS-DOS was the first electronic timetable for Switzerland [citation needed ...