• ReaxFF

  • Referenced in 23 articles [sw28391]
  • original ReaxFF code. Reactions in complex chemical mixtures totaling hundreds of thousands of atoms...
  • TRANSPORT

  • Referenced in 44 articles [sw08144]
  • multicomponent gas mixture properties. This package uses the gas-phase chemical kinetics package CHEMKIN...
  • PREMIX

  • Referenced in 52 articles [sw27815]
  • runs in conjunction with preprocessors for the chemical reaction mechanism and the transport properties. Transport ... include the option of using multicomponent or mixture-averaged formulas for molecular diffusion. Discussion...
  • SENKIN

  • Referenced in 25 articles [sw12845]
  • Fortran program for predicting homogeneous gas phase chemical kinetics with sensitivity analysis. SENKIN ... mixture in a closed system. The model accounts for finite-rate elementary chemical reactions...
  • TargetSearch

  • Referenced in 2 articles [sw19123]
  • against both a set of known chemical standard mixtures and of a biological experiment...
  • FEOS

  • Referenced in 1 article [sw35426]
  • features contains the calculation of homogeneous mixtures of chemical elements and the description...
  • alsace

  • Referenced in 1 article [sw26727]
  • alsace: ALS for the Automatic Chemical Exploration of mixtures. Alternating Least Squares (or Multivariate Curve...
  • MapGAM

  • Referenced in 0 articles [sw16679]
  • predictor (e.g., geolocation or exposure to chemical mixtures) while adjusting linearly for confounding variables, using...
  • MolFind

  • Referenced in 1 article [sw14028]
  • software package for identifying unknown chemical structures in complex mixtures using HPLC/MS data. Identifying ... predicted values for candidate compounds contained in chemical or biochemical databases. The program features...
  • ChemSage

  • Referenced in 2 articles [sw19061]
  • computer program for the calculation of complex chemical equilibria. An extensive computer program called ChemSage ... phase is a mixture, the partial properties of its components. Chemical equilibrium calculations...
  • USGS Spectral Library

  • Referenced in 6 articles [sw22856]
  • mixtures); Coatings on rock surfaces; Liquids, including mixtures of liquids, water and other volatiles ... compounds, including biochemical constituents of plants and chemical compounds; Manmade materials, including materials introduced into...
  • UManSysProp

  • Referenced in 1 article [sw33209]
  • organic molecules and ensemble mixtures. Built using open source chemical informatics, the facilities provided...
  • reactingfoam-SCI

  • Referenced in 3 articles [sw29520]
  • have been identified regarding its application in chemically reacting flows, especially incomplete splitting schemes, poor ... solvers for stiff chemistry and the oversimplified mixture transport models, etc. In this work...
  • SpinCouple

  • Referenced in 1 article [sw40764]
  • Tool for Analyzing Metabolite Mixtures via Two-Dimensional J-Resolved NMR Database ... include both J-coupling and (1)H chemical shift information; those are applicable ... array of spectral annotation, especially for metabolic mixture samples that are difficult to label through...
  • NEQAIR

  • Referenced in 1 article [sw34324]
  • chemical species along a line-of-sight through a non-uniform gas mixture. This allows...
  • HSIM

  • Referenced in 2 articles [sw18272]
  • well known simulation approaches: Stochastic simulation of chemical reactions and Entity-centered (multi-agents) systems ... simulate the behaviour of well stirred mixture of reactants when spatial localisation is not relevant...
  • UConnRCMPy

  • Referenced in 1 article [sw21383]
  • machines. The ignition delay of a fuel/air mixture is an important quantity in designing combustion ... these data are also used to validate chemical kinetic models for combustion...
  • EconDrop

  • Referenced in 6 articles [sw38258]
  • among others phase-separation processes of binary mixtures or two-phase flows. In recent years ... between the phase-field parameter and the chemical potential inside of the domain...
  • cmcFoam

  • Referenced in 1 article [sw29516]
  • kinetic scheme having 21 species and 84 chemical reactions (DRM 19). Results predicted ... agreement with the published data, both in mixture fraction and physical space. This benchmarked coupled...
  • ms2

  • Referenced in 2 articles [sw22573]
  • equilibria of pure fluids and multi-component mixtures described by rigid molecular models ... yields numerous thermodynamic properties. To evaluate the chemical potential, Widomʼs test molecule method and gradual...