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	Science > Chemistry
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	317 items are in this category. Listing all items:

	^13C and ^15N-Chemical Shift Anisotropy of Ampicillin and Penicillin-V 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 p-Dioxan 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] Activity-Composition 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 Four-Spin Topologies in 13C Systems [in Articles] Analytical Solution for the Steady-state Diffusion Towards an Inlaid Disc Microelectrode in a Multi-layered 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 Na-23 and (CS)-C-133 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 High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis [in Articles] Applications of the Soave-Redlich-Kwong Equation of State [in MathSource: Packages and Programs] ASECA: A Cellular-Automata Simulation Program for a Silicon Anisotropic Super-Micro-Etching 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 Non-Linear Regression Analysis Us [in Articles] Azeotropes computation using UNIQUAC model for the case of ternary system: 1-Butanol - 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 acetone-methanol mixture [in MathSource: Packages and Programs] Batch rectification of pentane, hexane, heptane and octane mixture [in MathSource: Packages and Programs] Bifurcation Analysis for the Volmer-Heyrovsky 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 Non-Sequence-Selective Protein-DNA Interactions [in MathSource: Packages and Programs] Biochemical Thermodynamics: Applications of Mathematica [in Books] BioEqCalc [in Articles] Bits and Pieces, 48 [in Articles] 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 Spatially-Periodic Potential [in MathSource: Packages and Programs] C60 Graphics [in MathSource: Packages and Programs] Calculating the Thermodynamics of Weakly Hydrogen-Bonded Complexes from Heteronuclear NMR Data [in Articles] Calculation of High-Pressure 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 Micro-etching 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 Articles] Chemical process synthesis: object modelling and automatic model generation [in Articles] 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 Si1-xGex by bevelling and oxidation: CABOOM [in Articles] Combined effects of Tafel kinetics and Ohmic potential drop on the nonlinear responses of electrochemical systems to low-frequency sinusoidal perturbation of electrode potential – New approach using the Lambert W-function [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, Hold-back, F-diagrams and E-diagrams 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 non-isothermal chemical system [in MathSource: Packages and Programs] Coordinate Transformations of Cubic Force Constants and Transferability of Anharmonic Force Constants in Internal Coordinates [in Articles] Correlation factors for impurity diffusion on the sublattice of dodecahedral sites in garnet [in Articles] Crystallica: A package to plot crystal structures [in MathSource: Packages and Programs] Cubic equation-of-state correlation of the solubility of some anti-inflammatory 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 Debye-Hückel 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] Diffusion-induced instability in a coupled reactor system: Case of the Deng-Harrison 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 non-isothermal 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 Cyclohexane-Heptane 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 p-Xylene [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 Fixed-bed 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 Belousov-Zhabotinskii Reaction [in Articles] Energy to Liquify Co2 and separate it from H2O and energy to liquify CO and separate it from O2 [in Articles] Enthalpy versus Composition Diagram for Ethanol-Water 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/n-Heptane, Benzene/n-Nonane and Benzene/n-Dodecane 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 Soave-Redlich-Kwong 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 Peng-Robinson 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] Fourier Transforms Using Mathematica [in Books] Fractals for Multicyclic Synthesis Conditions of Biopolymers: Examples of Oligonucleotide Synthesis Measured by High-Performance Capillary Electrophoresis and Ion-Exchange High-Performance Liquid Chromatography [in Articles] Franck-Condon 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 Hetero-Association Accompanying a Self-Association [in Articles] Handbook of Exact Solutions to the Nonlinear Schrödinger Equations [in Books] 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 Hiller-Sucher-Feinberg Identity [in Articles] Improved Algorithms for Reaction Path Following: Higher-Order 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 Salt-to-Moisture Ratio on Cheddar Cheese Quality: pH Buffering Properties of Cheese [in Articles] Introduction to Chemical Engineering Analysis Using Mathematica [in Books] Introduction to Computational Physical Chemistry [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 Vapor-Liquid Diagram of Acetone-Water and Acetone-Methanol Mixtures at 760 mmHg [in MathSource: Packages and Programs] The Joule-Thomson Coefficient for a Square Well Gas [in MathSource: Packages and Programs] Kinetic Models in Biology and Chemistry [in Conference Proceedings] Kramers-Kronig Transforms vs. Coherence Function [in Articles] Langmuir Hinshelwood Mechanism [in MathSource: Packages and Programs] Large Signal (Global) Analysis of Non-Linear Response of Eletrocatalytic Reaction. I. Multiple Steady States [in Articles] Liquid Liquid Equilibrium Using NDSolve [in MathSource: Packages and Programs] Liquid-Liquid Equilibrium and Extraction Using Mathematica [in Articles] Lyapunov Exponents Computation for Various Non-Linear Dynamic Problems [in MathSource: Packages and Programs] Mathematica Applications in Chemical Engineering [in MathSource: Packages and Programs] Mathematica Computer Programs for Physical Chemistry [in Books] Mathematica in the Classroom: Classroom Chemistry Simulations [in Articles] Mathematica-Assisted 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 three-compartment electro-reactor process with ion-exchange membranes for recycling and resource recovery of desulfurization residuals [in Articles] Mathematical Modelling of the Transient Behaviour of CSTRs with Reactive Particulates: Part 1--The 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] MathSource Reviews: Explosive Molecular Graphics [in Articles] McCabe-Thiele 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] Mixed-mode 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 Resonance-Energy 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 Physical Chemistry: A Computer-based Approach using Mathematica and Gaussian [in Books] 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] New approach for solving a class of singular boundary value problem arising in various physical models [in Articles] A New Numerical Procedure to Determine the VLE Curve [in Articles] Non-isothermal reaction-diffusion 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 “K-angle” reaction system [in Articles] On the Theoretical Number of Some Inositol-Tetramers [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 Ethane-Benzene Mixture [in MathSource: Packages and Programs] Phase-Plane Analysis of Biochemical Reactors [in MathSource: Packages and Programs] Physical Chemistry [in Courseware and Class Materials] Physical Chemistry Using Mathematica [in MathSource: Packages and Programs] Physical Chemistry using Mathematica [in Books] 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 Monopole-Dipole Interaction Theory [in Articles] Polydimethylsiloxane-Urea-Urethane Copolymers with 1,4-Benzenedimethanol 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 Axially-Dispersed 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] Pressure-volume isotherms for a Bragg-Williams lattice gas [in MathSource: Packages and Programs] A Primer on Quantum Chemistry [in Books] 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 Coal-Steam 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 2-Substituted 3-Oxo Carboxylic Esters Catalyzed by BINAP-Ruthenium(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 para-hydrogen 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] Reaction-Diffusion 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/n-butane 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] Self-Modifying Code in Virtual Kinetics Laboratory [in Conference Proceedings] Separation of a water-methanol mixture using a four stage batch distillation column [in MathSource: Packages and Programs] Separation of Air using Complete Mixing, Cross-Flow and Countercurrent-Flow 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 self-assembled 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 Maxwell-Stefan 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] Spin-Adapted States: A Basis for Quantum Dot Structure Calculation [in Articles] SpinDynamica: Symbolic and numerical magnetic resonance in a Mathematica environment. [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 Three-Variable Autocatalator [in MathSource: Packages and Programs] Successive First-Order Reversible Reactions [in MathSource: Packages and Programs] Supercritical Adsorption in Small Pores [in Articles] Sur L'Identifiabilité Structurelle de la Réaction de Volmer-Heyrovsky [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 Chemical-Kinetic 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] Temperature-Programmed 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 Loading-Dependence in the McKone Model for Dermal Uptake of Organic Chemicals from a Soil Matrix [in Articles] Torsional Dependence of Molecular Electrical Properties and Long-range 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] Two-Dimensional Atomic and Molecular Orbital Displays Using Mathematica [in Articles] A Two-Step Computer-Assisted Method for Deriving Steady-State Rate Equations [in Articles] Type I and II liquid-liquid 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 Plate-Wave Sensor for Measurement of Diffusion in Gels [in Articles] Uncovering Oscillations, Complexity, and Chaos in Chemical Kinetics Using Mathematica [in Articles] Unsteady-State Diffusion and Reaction in a Semi-infinite Medium [in MathSource: Packages and Programs] Unsteady-State Heat Conduction using the Schmidt Numerical Method [in MathSource: Packages and Programs] Use of Binding Site Neighbor-Effect Parameters to Evaluate the Interactions between Adjacent Ligands on a Linear Lattice [in Articles] Using Computational Visualizations of the Charge Density To Guide First-Year Chemistry Students through the Chemical Bond [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] Vapor-Liquid Equilibrium Computations using PR and SRK Equations of State for the heptane/hexane binary mixture at 760 mmHg [in MathSource: Packages and Programs] Vapor-Liquid Equilibrium Diagram of Ethane-Benzene at 25°C and 175°C [in MathSource: Packages and Programs] Vapor-Liquid Equilibrium Diagram of Ethanol-Ethyl Acetate at 760 mmHg Using Van Laar and UNIQUAC Models [in MathSource: Packages and Programs] Vapour-Liquid 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 Material--Part II [in Articles] VLE computations using Mathematica 7.0 [in MathSource: Packages and Programs] VLLE Computation using Two-Parameter Margules Model: Case of a Ternary System Water-Ethanol-Ethyl Acetate [in MathSource: Packages and Programs] Water and Steam Thermodynamic and Transport Properties [in MathSource: Packages and Programs] Wei-Prater 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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