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DWSIM is an open-source CAPE-OPEN compliant chemical process simulator for Windows, Linux and macOS.DWSIM is built on top of the Microsoft .NET and Mono Platforms and features a graphical user interface (GUI), advanced thermodynamics calculations, reactions support and petroleum characterization / hypothetical component generation tools.
Gaussian / ˈ ɡ aʊ s i ə n / is a general purpose computational chemistry software package initially released in 1970 by John Pople [1] [2] and his research group at Carnegie Mellon University as Gaussian 70. [3]
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] thermochemical recipes including G3(MP2) [6] and T1.
Jaguar is a computer software package used for ab initio quantum chemistry calculations for both gas and solution phases. [1] It is commercial software marketed by the company Schrödinger . The program was originated in research groups of Richard Friesner and William Goddard and was initially called PS-GVB (referring to the so-called ...
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.
Click Download now | wait for the installation file to download. Click the file to open. System Mechanic will begind to download. When the download finished the install wizard will show up. Click Yes. Click Install. After the installation you will be asked for your email address for activation. Enter the email address used for purchasing System ...