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Science
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Chemistry
ITEMS
307
items are in this category. Listing
all
items:
^13C and ^15NChemical Shift Anisotropy of Ampicillin and PenicillinV Studied by 2D PASS and CP/MAS NMR
[in
Articles
]
Absorption of ammonia from air by liquid water
[in
MathSource: Packages and Programs
]
Activity Coefficients in a Solvated Mixture of pDioxan and Chloroform at 50°C
[in
MathSource: Packages and Programs
]
Activity Coefficients in Solvated Mixtures: Chemical and Physical Interactions
[in
MathSource: Packages and Programs
]
Activity Coefficients Package
[in
MathSource: Packages and Programs
]
ActivityComposition Relationships in Multicomponent Amphiboles: An Application of Darken's Quadratic Formalism
[in
Articles
]
Adiabatic Flash Calculations using the Peng Robinson Equation of State
[in
MathSource: Packages and Programs
]
Advanced Tutorials for the Biomedical Sciences: Animations, Simulations, and Calculations Using Mathematica
[in
Books
]
Analysis of Elementary and Complex Reaction Kinetics
[in
Courseware and Class Materials
]
Analytical Expressions for Isotropic Mixing in Three and FourSpin Topologies in 13C Systems
[in
Articles
]
Analytical Solution for the Steadystate Diffusion Towards an Inlaid Disc Microelectrode in a Multilayered Medium
[in
Articles
]
Anharmonic Force Field of CO2
[in
Articles
]
Apparatus for rapid adjustment of the degree of alignment of NMR samples in aqueous media: Verification with residual quadrupolar splittings in Na23 and (CS)C133 spectra
[in
Articles
]
Application of Optimization to the Study of Chemical Processes
[in
MathSource: Packages and Programs
]
Application of the arc length continuation method in nonlinear chemical dynamics
[in
MathSource: Packages and Programs
]
Application of the Riccati Equation to Solve Adsorption Problems
[in
MathSource: Packages and Programs
]
Application of the Riccati Equation to Solve Binary Distillation Problems
[in
MathSource: Packages and Programs
]
Applications of HighResolution SelfOrganizing Maps to Retrosynthetic and QSAR Analysis
[in
Articles
]
Applications of the SoaveRedlichKwong Equation of State
[in
MathSource: Packages and Programs
]
ASECA: A CellularAutomata Simulation Program for a Silicon Anisotropic SuperMicroEtching Process in Aqueous KOH
[in
Articles
]
Atomic and Electronic Structure of Carbon Nanotubes
[in
MathSource: Packages and Programs
]
Atomic Radii Scales and Electron Properties Deduced from the Charge Density
[in
Articles
]
Automation of a Procedure to Find the Polynomial Which Best Fits (kappa, c1, c2, T) Data of Electrolyte Solutions by NonLinear Regression Analysis Us
[in
Articles
]
Azeotropes computation using UNIQUAC model for the case of ternary system: 1Butanol  Water Butyl Acetate
[in
MathSource: Packages and Programs
]
Balance Chemical Reactions
[in
MathSource: Packages and Programs
]
Basic Data for Biochemistry
[in
MathSource: Packages and Programs
]
Batch distillation of acetonemethanol mixture
[in
MathSource: Packages and Programs
]
Batch rectification of pentane, hexane, heptane and octane mixture
[in
MathSource: Packages and Programs
]
Bifurcation Analysis for the VolmerHeyrovsky Mechanism
[in
Articles
]
Bifurcation Analysis of Simple Distillation: Case of a Hypothetical Ternary Mixture with Chemical Reaction
[in
MathSource: Packages and Programs
]
Binary Distillation Column Design Using Mathematica
[in
Articles
]
Binding of Ligands to an Infinite Linear Lattice: A Model for NonSequenceSelective ProteinDNA Interactions
[in
MathSource: Packages and Programs
]
Biochemical Thermodynamics: Applications of Mathematica
[in
Books
]
BioEqCalc
[in
Articles
]
Bits and Pieces, 48
[in
Articles
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Bits and Pieces, 55
[in
Articles
]
Bravais Lattices, Surface Nets, and Buckminsterfullerenes
[in
Articles
]
Breakthrough curves for adsorption assuming linear driving force, negligible dispersion and linear adsorption isotherm
[in
MathSource: Packages and Programs
]
Breakthrough curves for adsorption with longitudinal diffusion under equilibrium assumption
[in
MathSource: Packages and Programs
]
Brownian Dynamics of a Spherical Particle in a Fluid Flow with no External Force
[in
MathSource: Packages and Programs
]
Brownian Dynamics of a Spherical Particle in a Quadratic Energy Well
[in
MathSource: Packages and Programs
]
Brownian Dynamics Simulation using Periodic Boundary Condition and a SpatiallyPeriodic Potential
[in
MathSource: Packages and Programs
]
C60 Graphics
[in
MathSource: Packages and Programs
]
Calculating the Thermodynamics of Weakly HydrogenBonded Complexes from Heteronuclear NMR Data
[in
Articles
]
Calculation of HighPressure Chemical Equilibrium: Case of ammonia synthesis
[in
MathSource: Packages and Programs
]
Calculation of the Solubity of Naphtalene in Supercritical CO2 using the Peng Robinson Equation of State
[in
MathSource: Packages and Programs
]
The Catalytic Oxidation of Volatile Organics
[in
Articles
]
Cellular Automata Explorations: Chemotaxis
[in
Articles
]
A Cellular Automata Simulation Program for Silicon Anisotropic Super Microetching Process in Aqueous KOH
[in
MathSource: Packages and Programs
]
Characterization and modeling of antireflective coatings of SiO2, Si3N4, and SiOxNy deposited by electron cyclotron resonance enhanced plasma chemical vapor deposition
[in
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]
Chemical process synthesis: object modelling and automatic model generation
[in
Articles
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Chemical Solubilities Revised with Computer Support
[in
Articles
]
Chemical Stoichiometry Function
[in
MathSource: Packages and Programs
]
Chemical Structures as Mathematica Expressions
[in
Conference Proceedings
]
The Chemistry Maths Lab
[in
Courseware and Class Materials
]
CifImport: Crystal structure import from CIF files
[in
MathSource: Packages and Programs
]
The CIMA Reaction
[in
MathSource: Packages and Programs
]
Colour coding Ge concentrations in Si1xGex by bevelling and oxidation: CABOOM
[in
Articles
]
Combined effects of Tafel kinetics and Ohmic potential drop on the nonlinear responses of electrochemical systems to lowfrequency sinusoidal perturbation of electrode potential – New approach using the Lambert Wfunction
[in
Articles
]
Compartmental and Biokinetic Modeling
[in
MathSource: Packages and Programs
]
Computation of Isovolatility Lines for Ternary Systems and Prediction of Azeotorpes
[in
MathSource: Packages and Programs
]
Computation of Segregation, Holdback, Fdiagrams and Ediagrams for different flow situations
[in
MathSource: Packages and Programs
]
Computation of the Effective Volumes of Covalently Bonded Molecules
[in
Articles
]
Computation of the Solubility of Methanol in Natural Gas using the Peng Robinson Equation of State
[in
MathSource: Packages and Programs
]
Computational Chemistry
[in
Courseware and Class Materials
]
Computational Mathematics for Chemists
[in
Courseware and Class Materials
]
Computing Isothermal and Nonisothermal Effectiveness Factors
[in
MathSource: Packages and Programs
]
Computing multiple steady states in a nonisothermal CSTR
[in
MathSource: Packages and Programs
]
Construction of Attainable Region for van de Vusse Kinetics
[in
MathSource: Packages and Programs
]
Control of chaotic behavior of a nonisothermal chemical system
[in
MathSource: Packages and Programs
]
Coordinate Transformations of Cubic Force Constants and Transferability of Anharmonic Force Constants in Internal Coordinates
[in
Articles
]
Crystallica: A package to plot crystal structures
[in
MathSource: Packages and Programs
]
Cubic equationofstate correlation of the solubility of some antiinflammatory drugs in supercritical carbon dioxide
[in
Articles
]
Deep Nuclear Resonant Tunneling Thermal Rate Constant Calculations
[in
Articles
]
Design of a two adiabatic packed bed system
[in
MathSource: Packages and Programs
]
Designing a Distillation Column for Binary Mixtures
[in
Conference Proceedings
]
Determination of the adjustable parameters of the corrections to the DebyeHückel limiting law
[in
MathSource: Packages and Programs
]
Determining Wavefunction of Noncyclic Polyenes
[in
Courseware and Class Materials
]
The Development of the Mathematica Package '
StandardPhysicalConstants
'
[in
Conference Proceedings
]
Developments in Multicenter Molecular Integrals over STOs Using Expansions in Spherical Harmonics
[in
Articles
]
Differential Equations for Chemical Kinetics
[in
Technical Notes
]
Diffusion Effects in Complex Reaction Systems
[in
MathSource: Packages and Programs
]
Diffusioninduced instability in a coupled reactor system: Case of the DengHarrison model
[in
MathSource: Packages and Programs
]
Distillation Curves for Ternary Systems: Case of Acetone  Chloroform  Benzene Mixture
[in
MathSource: Packages and Programs
]
Doehlert Design for Wet Pelletization in High Shear Mixer
[in
MathSource: Packages and Programs
]
Dynamic 3D Molecular Model with nVizx
[in
MathSource: Packages and Programs
]
Dynamic behavior of autocatalytic reaction networks
[in
MathSource: Packages and Programs
]
Dynamic behavior of nonisothermal chemical system
[in
MathSource: Packages and Programs
]
Dynamic Light Scattering by Polyelectrolyte Solutions
[in
Articles
]
Dynamics and control of two tank in series
[in
MathSource: Packages and Programs
]
Dynamics behavior of a diabatic continuous stirred tank reactor
[in
MathSource: Packages and Programs
]
Dynamics of a binary distillation column: Case of a binary mixture with constant relative volatility
[in
MathSource: Packages and Programs
]
Dynamics of a binary distillation column: Case of a CyclohexaneHeptane mixture
[in
MathSource: Packages and Programs
]
Dynamics of a Catalytic Fluidized Bed Reactor
[in
MathSource: Packages and Programs
]
Dynamics of a continuous distillation column for the separation of a mixture of Benzene, Toluene and pXylene
[in
MathSource: Packages and Programs
]
Dynamics of a five stages extraction cascade with solvent recycle
[in
MathSource: Packages and Programs
]
Dynamics of Wormlike Coils: Amplitudes of Normal Bending Modes
[in
Articles
]
Economic Operation of Fixedbed Filter
[in
MathSource: Packages and Programs
]
Effect of Gas Phase Dimerization on Vapor Liquid Equilibrium Data for the Binary Systems: acetic acid  water and formic acid  water
[in
MathSource: Packages and Programs
]
Effective solution of linear Diophantine equation systems with an application in chemistry
[in
Articles
]
Electron cloud of the H atom
[in
MathSource: Packages and Programs
]
The Electrostatic Interaction of Rigid, Globular Proteins with Arbitrary charge Distributions
[in
Articles
]
Employing Complex Kinetic Diagrams to Understand the BelousovZhabotinskii Reaction
[in
Articles
]
Enthalpy versus Composition Diagram for EthanolWater at 760 mmHg and 76 mmHg
[in
MathSource: Packages and Programs
]
Enumeration of Isomers and Diamutamers
[in
MathSource: Packages and Programs
]
An Equilibrium Theory for the Parametric Pump
[in
MathSource: Packages and Programs
]
Essentials of Hamiltonian Dynamics
[in
Books
]
Evaluation of Reid and True Vapor Pressures
[in
MathSource: Packages and Programs
]
An Exactly Solvable Ogston Model of Gel Electrophoresis. II. Sieving Through Periodic Gels
[in
Articles
]
Excess Enthalpy and Excess Gibbs Free Energy for Benzene/nHeptane, Benzene/nNonane and Benzene/nDodecane at 298.15K
[in
MathSource: Packages and Programs
]
Finding a kinetic rate law using experimental data from a batch enzymatic reactor
[in
MathSource: Packages and Programs
]
Finding the Eigenvalues and Eigenvectors of a Symmetric Real Matrix
[in
MathSource: Packages and Programs
]
Finding the Global Minimum of a Function using Simulated Annealing
[in
MathSource: Packages and Programs
]
First Principles Computation of Thermochemical Properties Beyond the Harmonic Approximation. II. Application to the Amino Radical NH2
[in
Articles
]
Flash and Equilibrium Constants Calculations using the SoaveRedlichKwong equation of state
[in
MathSource: Packages and Programs
]
Flash Calculations using the Peng Robinson equation of state
[in
MathSource: Packages and Programs
]
Flash Calculations Using the PengRobinson Equation of State
[in
MathSource: Packages and Programs
]
Flash Distillation of a Mixture of Hydrocarbons
[in
MathSource: Packages and Programs
]
Following Gradient Extremal Paths
[in
Articles
]
FormalKinetics with Applications
[in
Conference Proceedings
]
Fourier Series of a Triangular Wave Function
[in
MathSource: Packages and Programs
]
Fractals for Multicyclic Synthesis Conditions of Biopolymers: Examples of Oligonucleotide Synthesis Measured by HighPerformance Capillary Electrophoresis and IonExchange HighPerformance Liquid Chromatography
[in
Articles
]
FranckCondon factors for polyatomic molecules
[in
Articles
]
Gas Permeation Computations with Mathematica
[in
Articles
]
Gases
[in
MathSource: Packages and Programs
]
General Chemistry Review
[in
Courseware and Class Materials
]
Graphic Method for the Determination of the Complex NMR Shift and Equilibrium Constant for a HeteroAssociation Accompanying a SelfAssociation
[in
Articles
]
The Heat Capacities to Ternary Lanthanum Chlorides AnLaCl3+n from 200 to 770 K and the DCp Values for Their Formation from nACl + LaCl3
[in
Articles
]
Homotopy Continuation Method to Find All Real Roots of a Polynomial Equation
[in
MathSource: Packages and Programs
]
Homotopy Continuation Method to Solve a System of Nonlinear Algebraic Equations
[in
MathSource: Packages and Programs
]
Hückel Calculations using Mathematica
[in
Articles
]
Hunter and Nash Graphical Equilibrium Stage Method
[in
MathSource: Packages and Programs
]
Improved Accuracy and Convergence of Electron Densities Derived from the HillerSucherFeinberg Identity
[in
Articles
]
Improved Algorithms for Reaction Path Following: HigherOrder Implicit Algorithms
[in
Articles
]
Improved DNA equilibrium binding affinity determinations of platinum(II) complexes using synchrotron radiation circular dichroism
[in
Articles
]
An Improved Method for Lyapunov Exponents Computation
[in
MathSource: Packages and Programs
]
Influence of Calcium and Phosphorus, Lactose, and SalttoMoisture Ratio on Cheddar Cheese Quality: pH Buffering Properties of Cheese
[in
Articles
]
Introduction to Chemical Engineering Analysis Using Mathematica
[in
Books
]
Introduction to Computational Science
[in
Books
]
Introduction to Statistical Mechanics
[in
MathSource: Packages and Programs
]
Introduction to the Use of Numerical Methods in Chemical Kinetics
[in
MathSource: Packages and Programs
]
Isobaric VaporLiquid Diagram of AcetoneWater and AcetoneMethanol Mixtures at 760 mmHg
[in
MathSource: Packages and Programs
]
The JouleThomson Coefficient for a Square Well Gas
[in
MathSource: Packages and Programs
]
Kinetic Models in Biology and Chemistry
[in
Conference Proceedings
]
KramersKronig Transforms vs. Coherence Function
[in
Articles
]
Langmuir Hinshelwood Mechanism
[in
MathSource: Packages and Programs
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Large Signal (Global) Analysis of NonLinear Response of Eletrocatalytic Reaction. I. Multiple Steady States
[in
Articles
]
Liquid Liquid Equilibrium Using NDSolve
[in
MathSource: Packages and Programs
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LiquidLiquid Equilibrium and Extraction Using Mathematica
[in
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]
Lyapunov Exponents Computation for Various NonLinear Dynamic Problems
[in
MathSource: Packages and Programs
]
Mathematica Applications in Chemical Engineering
[in
MathSource: Packages and Programs
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Mathematica Computer Programs for Physical Chemistry
[in
Books
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Mathematica in the Classroom: Classroom Chemistry Simulations
[in
Articles
]
MathematicaAssisted Learning in Physical Chemistry
[in
Articles
]
Mathematical Functions for Thermodynamic Properties of Biochemical Reactants
[in
MathSource: Packages and Programs
]
Mathematical Methods for Chemists
[in
Courseware and Class Materials
]
Mathematical modeling of a threecompartment electroreactor process with ionexchange membranes for recycling and resource recovery of desulfurization residuals
[in
Articles
]
Mathematical Modelling of the Transient Behaviour of CSTRs with Reactive Particulates: Part 1The Population Balance Framework
[in
Articles
]
Mathematical Treatment of Kinetic Resolution of Chirally Labile Substrates
[in
Articles
]
MathSBML
[in
MathSource: Packages and Programs
]
MathSBML
[in
MathSource: Packages and Programs
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MathSource Reviews: Explosive Molecular Graphics
[in
Articles
]
McCabeThiele Method for an Ideal Binary Mixture
[in
MathSource: Packages and Programs
]
MDNewton Version 0.2
[in
MathSource: Packages and Programs
]
Membrane Separation of a Ternary Mixture
[in
MathSource: Packages and Programs
]
Mixedmode oscillations in chemical systems
[in
MathSource: Packages and Programs
]
Modeling Separation by Liquid Chromatography
[in
MathSource: Packages and Programs
]
Modeling the transport of multiple corrosive chemicals in concrete structures: Synergetic effect study
[in
Articles
]
Modelling Metabolism with Mathematica
[in
Books
]
Modelling Particulate Processes: Full Solutions and Short Cuts
[in
Articles
]
Models of the Actin Monomer and Filament from Fluorescence ResonanceEnergy Transfer
[in
Articles
]
Modular Chemical Geometry and Symbolic Calculation
[in
Articles
]
Molecular Evolution
[in
Articles
]
Molecular Graphics Package 1.1
[in
MathSource: Packages and Programs
]
Molecular Symmetry
[in
Books
]
Molecular Vibrations and Group Theory
[in
Articles
]
Movies of Molecular Model Vibrations
[in
Conference Proceedings
]
multiBondPlot: Plotting organic molecules
[in
MathSource: Packages and Programs
]
Multiple Steady States in Adiabatic Reactors
[in
MathSource: Packages and Programs
]
Musical and Graphic Representations of the Fibonacci String and Proteins using Mathematica
[in
Articles
]
Natural Gas Thermodynamic and Transport Properties
[in
MathSource: Packages and Programs
]
The Nature of Mathematics and the Mathematics of Nature
[in
Books
]
A New Numerical Procedure to Determine the VLE Curve
[in
Articles
]
Nonisothermal reactiondiffusion systems with thermodynamically coupled heat and mass transfer
[in
Articles
]
Nonlinear Equation, Differential (Equation Equations non linéaires, équations différentielles)
[in
Courseware and Class Materials
]
Nucleation and Growth Rates and Number, Size, Area and Mass of crystals from Crystal Size Distribution
[in
MathSource: Packages and Programs
]
Numerical Computation of Kinetic Parameters for Reductive Dechlorination of Chlorinated Solvents
[in
MathSource: Packages and Programs
]
Numerical Inversion of Laplace Transforms
[in
MathSource: Packages and Programs
]
Numerical simulation of vertical temperature distribution in heterogeneous multilayer structure with Mathematica
[in
Articles
]
On Librational Broadening of Vibrational Transitions in Liquids: A Simple Model
[in
Articles
]
On the numerical solution of the general kinetic “Kangle” reaction system
[in
Articles
]
On the Theoretical Number of Some InositolTetramers
[in
Articles
]
Optimal design of an ammonia reactor
[in
MathSource: Packages and Programs
]
Optimization of a linear problem using the Simplex method
[in
MathSource: Packages and Programs
]
A Package to check valid CAS Numbers
[in
MathSource: Packages and Programs
]
Partition Function and the Level Density of the Hindered Rotor
[in
Articles
]
Partitioned Transport in Laminates: Analytic Solution via Symbolic Computation
[in
Articles
]
Path Integration
[in
Courseware and Class Materials
]
Periodic Table of Elements
[in
MathSource: Packages and Programs
]
pH of Acid Solutions
[in
MathSource: Packages and Programs
]
Phase Envelope for EthaneBenzene Mixture
[in
MathSource: Packages and Programs
]
PhasePlane Analysis of Biochemical Reactors
[in
MathSource: Packages and Programs
]
Physical Chemistry
[in
Courseware and Class Materials
]
Physical Chemistry using Mathematica
[in
Books
]
Physical Chemistry Using Mathematica
[in
MathSource: Packages and Programs
]
Physical Chemistry, Fourth Edition
[in
Books
]
Physical Chemistry, Third Edition
[in
Books
]
Physical Chemistry: Kinetics
[in
Books
]
Physical Chemistry: Quantum Mechanics
[in
Books
]
Physical Chemistry: Statistical Mechanics
[in
Books
]
Physical Chemistry: Thermodynamics
[in
Books
]
Polarizabilities of Fullerenes C20 Through C240 from Atom MonopoleDipole Interaction Theory
[in
Articles
]
PolydimethylsiloxaneUreaUrethane Copolymers with 1,4Benzenedimethanol as Chain Extender
[in
Articles
]
Ponchon Savarit Graphical Equilibrium Stage Method
[in
MathSource: Packages and Programs
]
Power Spectrum of a Function
[in
MathSource: Packages and Programs
]
Prediction of Conversion with an Isothermal AxiallyDispersed Plug Flow Reactor
[in
MathSource: Packages and Programs
]
Prediction of the Solubility of Orange Essential Oil in High Pressure CO2
[in
MathSource: Packages and Programs
]
Pressurevolume isotherms for a BraggWilliams lattice gas
[in
MathSource: Packages and Programs
]
Process identification using impulse response and normalized moments
[in
MathSource: Packages and Programs
]
Production of Enriched Air by Membrane Separation
[in
MathSource: Packages and Programs
]
Production of SynGas using CoalSteam reactions
[in
MathSource: Packages and Programs
]
Protein Structure Analysis and Prediction
[in
Articles
]
Quantitative Expressions of Dynamic Kinetic Resolution of Chirally Labile Enantiomers: Stereoselective Hydrogenation of 2Substituted 3Oxo Carboxylic Esters Catalyzed by BINAPRuthenium(II) Complexes
[in
Articles
]
Quantum Mathematica
[in
MathSource: Packages and Programs
]
Quasilinear Solution Sequence for Nonlinear Tubular Reactor with Dispersion
[in
MathSource: Packages and Programs
]
Rate Constants and Thermodynamic Parameters of Rotation of Axial Ligands in a Bisligated Ferric Tetramesitylporphyrinate Complex Measured from the Temperature Dependence of ^1H Transverse Relaxation Rates
[in
Articles
]
The ratio of the number of ortho to parahydrogen molecules at equilibrium
[in
MathSource: Packages and Programs
]
RCM of a Nonideal Ternary Mixture using StreamPlot
[in
MathSource: Packages and Programs
]
Reaction Extent Computation of the Decomposition of Pure Nitrogen Tetroxide
[in
MathSource: Packages and Programs
]
ReactionDiffusion Lab
[in
MathSource: Packages and Programs
]
ReactionKinetics—A Mathematica package with applications
[in
Articles
]
Rearrangements of Model (H2O)8 and (H2O)20 Clusters
[in
Articles
]
Rectifying and Stripping Cascade Trajectories for Isopropyl Acetate Chemistry
[in
MathSource: Packages and Programs
]
Rectifying and Stripping Profiles for the Reactive Cascade
[in
MathSource: Packages and Programs
]
Residence Time Distribution and Conversion Calculations for Tanks in Series Model
[in
MathSource: Packages and Programs
]
Residue Curve Map Computation using UNIQUAC Model: Case of a Quaternary Reactive System
[in
MathSource: Packages and Programs
]
Residue Curve Map for Homogeneous Reactive Quaternary Mixtures
[in
MathSource: Packages and Programs
]
Residue Curve Map for the MTBE/Methanol/isobutene/nbutane mixture at P=1 atm
[in
MathSource: Packages and Programs
]
Rigorous Distillation Dynamics Simulations Using a Computer Algebra System
[in
Articles
]
Schwarz' D Minimal Surface and the {6, 4} tilling
[in
MathSource: Packages and Programs
]
Selection of Optimum Chemical Reactor Design
[in
MathSource: Packages and Programs
]
SelfModifying Code in Virtual Kinetics Laboratory
[in
Conference Proceedings
]
Separation of a watermethanol mixture using a four stage batch distillation column
[in
MathSource: Packages and Programs
]
Separation of Air using Complete Mixing, CrossFlow and CountercurrentFlow Models
[in
MathSource: Packages and Programs
]
Separation Problems Using Mathematica
[in
MathSource: Packages and Programs
]
Simple Analytical Representation of Atomic Electron Charge Densities, Electrostatic Potentials, and Local Exchange Potentials
[in
Articles
]
Simple Batch Distillation of a Binary Mixture
[in
MathSource: Packages and Programs
]
A simple mathematical model for prediction of nitrogen dioxide molecular structure
[in
MathSource: Packages and Programs
]
Simplifying SAW calculations
[in
Articles
]
Simulating Electrochemical Reactions with Mathematica
[in
Books
]
Simulation and interpretation of 2D diffraction patterns from selfassembled nanostructured films at arbitrary angles of incidence: From grazing incidence (above the critical angle) to transmission perpendicular to the substrate
[in
Articles
]
Singular Point Analysis in Reactive Distillation
[in
MathSource: Packages and Programs
]
Solution of Difference and Fredholm Equations
[in
MathSource: Packages and Programs
]
Solution of Unsteady Heat Conduction in an Insulated Rod using the Orthogonal Collocation Method
[in
MathSource: Packages and Programs
]
Solving Buffering Problems with Mathematica Software
[in
Articles
]
Solving the MaxwellStefan equations using the orthogonal collocation and the shooting methods
[in
MathSource: Packages and Programs
]
Some Comments on the Electrostatic Potential of a Molecule
[in
Articles
]
Some Methods for Counting the Spanning Trees in Labeled Molecular Graphs, Examined in Relation to Certain Fullerenes
[in
Articles
]
SpinAdapted States: A Basis for Quantum Dot Structure Calculation
[in
Articles
]
Structural analysis of combustion mechanisms
[in
Articles
]
Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces
[in
Articles
]
Structures and Rearrangements of Model Silicon Clusters
[in
Articles
]
Study of a Binary Mixture of Methane and Propane using the Virial Equation of State
[in
MathSource: Packages and Programs
]
Study of the dynamic behavior of ThreeVariable Autocatalator
[in
MathSource: Packages and Programs
]
Successive FirstOrder Reversible Reactions
[in
MathSource: Packages and Programs
]
Supercritical Adsorption in Small Pores
[in
Articles
]
Sur L'Identifiabilité Structurelle de la Réaction de VolmerHeyrovsky
[in
Articles
]
Surface Chemistry in the Aquatic and Atmospheric Sciences
[in
Courseware and Class Materials
]
Survival Guide For Physical Chemistry
[in
Books
]
Symbolic Algebra in the Analysis of Dynamic ChemicalKinetic Systems
[in
Articles
]
A Symbolic and Graphical Gene Regulation Model of the
lac
Operon
[in
Conference Proceedings
]
Symbolic NMR Product Operator Calculations
[in
Articles
]
Symbolic preprocessing for simulation of PDE models of chemical processes
[in
Articles
]
Symmetry Operations of Crystallographic Point Groups and Space Groups
[in
MathSource: Packages and Programs
]
Systematic Determination of Azeotropes for the Acetone  Chloroform  Methanol Mixture Using Relative Volatility Functions
[in
MathSource: Packages and Programs
]
Temperature control of a water tank
[in
MathSource: Packages and Programs
]
TemperatureProgrammed Gas Chromatography
[in
Books
]
Three different methods to determine the concentration profile for a tubular reactor with axial dispersion
[in
MathSource: Packages and Programs
]
Time and LoadingDependence in the McKone Model for Dermal Uptake of Organic Chemicals from a Soil Matrix
[in
Articles
]
Torsional Dependence of Molecular Electrical Properties and Longrange Interactions: CH3OH Rare Gas Systems
[in
Articles
]
Transient diffusion of mass within an infinitely long cylinder: The finite Hankel transform
[in
MathSource: Packages and Programs
]
TwoDimensional Atomic and Molecular Orbital Displays Using Mathematica
[in
Articles
]
A TwoStep ComputerAssisted Method for Deriving SteadyState Rate Equations
[in
Articles
]
Type I and II liquidliquid equilibrium diagrams for two ternary systems: water – ethyl acetate – acetone at 288.15 K and hexane – heptane – methanol at 306 K
[in
MathSource: Packages and Programs
]
An Ultrasonic Flexural PlateWave Sensor for Measurement of Diffusion in Gels
[in
Articles
]
Uncovering Oscillations, Complexity, and Chaos in Chemical Kinetics Using Mathematica
[in
Articles
]
UnsteadyState Diffusion and Reaction in a Semiinfinite Medium
[in
MathSource: Packages and Programs
]
UnsteadyState Heat Conduction using the Schmidt Numerical Method
[in
MathSource: Packages and Programs
]
Use of Binding Site NeighborEffect Parameters to Evaluate the Interactions between Adjacent Ligands on a Linear Lattice
[in
Articles
]
Using Computer Algebra Methods to Determine the Chemical Dimension of Finitely Ramified Sierpinski Carpets
[in
Articles
]
Using Extended Hückel Theory as a Platform To Introduce Jahn− Teller Distortion: The Spontaneous Distortion of 1,3,5,7 Cyclooctatetraene from a Perfect Octagon
[in
Articles
]
Using Symbolic Computing in Building Probabilistic Models for Atoms
[in
Articles
]
Vapor Phase Solubility of Decane in Nitrogen at 50°C
[in
MathSource: Packages and Programs
]
VaporLiquid Equilibrium Computations using PR and SRK Equations of State for the heptane/hexane binary mixture at 760 mmHg
[in
MathSource: Packages and Programs
]
VaporLiquid Equilibrium Diagram of EthaneBenzene at 25°C and 175°C
[in
MathSource: Packages and Programs
]
VaporLiquid Equilibrium Diagram of EthanolEthyl Acetate at 760 mmHg Using Van Laar and UNIQUAC Models
[in
MathSource: Packages and Programs
]
VapourLiquid Equilibrium Data Computation for a Partially Miscible Binary System using UNIQUAC and NRTL models
[in
MathSource: Packages and Programs
]
VaspImport: Crystal structure import from VASP files
[in
MathSource: Packages and Programs
]
Visualization of Wave Functions Using Mathematica
[in
Articles
]
Visualizing Chemical Structures with Mathematica and XML
[in
Demos
]
Visualizing the Physics of MaterialPart II
[in
Articles
]
VLE computations using Mathematica 7.0
[in
MathSource: Packages and Programs
]
VLLE Computation using TwoParameter Margules Model: Case of a Ternary System WaterEthanolEthyl Acetate
[in
MathSource: Packages and Programs
]
Water and Steam Thermodynamic and Transport Properties
[in
MathSource: Packages and Programs
]
WeiPrater Mechanism
[in
MathSource: Packages and Programs
]
"You're Doing Simulations with Your Students, so Why Are You Using Mathematica?"
[in
Conference Proceedings
]
The [FHCL] Molecular Anion: Structural Aspects, Global Surface, and Vibrational Eigenspectrum
[in
Articles
]
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