• 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...