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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.
In order to flatten the steep learning curve aqion provides an introduction to fundamental water-related topics in form of a "chemical pocket calculator". Second. The program mediates between two terminological concepts: The calculations are performed in the "scientific realm" of thermodynamics (activities, speciation, log K values, ionic ...
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 ...
Q-Chem can perform a number of general quantum chemistry calculations, such as Hartree–Fock, density functional theory (DFT) including time-dependent DFT (), Møller–Plesset perturbation theory (MP2), coupled cluster (CC), equation-of-motion coupled-cluster (EOM-CC), [10] [11] [12] configuration interaction (CI), algebraic diagrammatic construction (ADC), and other advanced electronic ...
Dirac is one of the most successful general-purpose quantum chemistry packages that provides accurate description of relativistic effects in molecules, using the Dirac equation as its starting point. [1] The program is available in source code form, at no cost, to the academic community.
3D view. HEC-RAS is simulation software used in computational fluid dynamics – specifically, to model the hydraulics of water flow through natural rivers and other channels.. The program was developed by the United States Army Corps of Engineers in order to manage the rivers, harbors, and other public works under their jurisdiction; it has found wide acceptance by many others since its ...
Molecular mechanics; Molecular dynamics; Hartree–Fock (self-consistent field method); Density functional theory; Time-dependent density functional theory; Post-Hartree–Fock methods, including MP2 in the resolution of identity approximation (RI-MP2 [6]), multiconfigurational self-consistent-field (MCSCF) theory, selected configuration interaction (CI), Møller–Plesset perturbation theory ...
Hydraulic jump in a rectangular channel, also known as classical jump, is a natural phenomenon that occurs whenever flow changes from supercritical to subcritical flow. In this transition, the water surface rises abruptly, surface rollers are formed, intense mixing occurs, air is entrained, and often a large amount of energy is dissipated.