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Science
>
Chemistry
ITEMS
316
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
]
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
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Residue Curve Map Computation using UNIQUAC Model: Case of a Quaternary Reactive System
[in
MathSource: Packages and Programs
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Residue Curve Map for Homogeneous Reactive Quaternary Mixtures
[in
MathSource: Packages and Programs
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Residue Curve Map for the MTBE/Methanol/isobutene/n-butane mixture at P=1 atm
[in
MathSource: Packages and Programs
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Rigorous Distillation Dynamics Simulations Using a Computer Algebra System
[in
Articles
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Schwarz' D Minimal Surface and the {6, 4} tilling
[in
MathSource: Packages and Programs
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Selection of Optimum Chemical Reactor Design
[in
MathSource: Packages and Programs
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Self-Modifying Code in Virtual Kinetics Laboratory
[in
Conference Proceedings
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Separation of a water-methanol mixture using a four stage batch distillation column
[in
MathSource: Packages and Programs
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Separation of Air using Complete Mixing, Cross-Flow and Countercurrent-Flow Models
[in
MathSource: Packages and Programs
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Separation Problems Using Mathematica
[in
MathSource: Packages and Programs
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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
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A simple mathematical model for prediction of nitrogen dioxide molecular structure
[in
MathSource: Packages and Programs
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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
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Solution of Difference and Fredholm Equations
[in
MathSource: Packages and Programs
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Solution of Unsteady Heat Conduction in an Insulated Rod using the Orthogonal Collocation Method
[in
MathSource: Packages and Programs
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Solving Buffering Problems with Mathematica Software
[in
Articles
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Solving the Maxwell-Stefan equations using the orthogonal collocation and the shooting methods
[in
MathSource: Packages and Programs
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Some Comments on the Electrostatic Potential of a Molecule
[in
Articles
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Some Methods for Counting the Spanning Trees in Labeled Molecular Graphs, Examined in Relation to Certain Fullerenes
[in
Articles
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Spin-Adapted States: A Basis for Quantum Dot Structure Calculation
[in
Articles
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SpinDynamica: Symbolic and numerical magnetic resonance in a Mathematica environment.
[in
Articles
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Structural analysis of combustion mechanisms
[in
Articles
]
Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces
[in
Articles
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Structures and Rearrangements of Model Silicon Clusters
[in
Articles
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Study of a Binary Mixture of Methane and Propane using the Virial Equation of State
[in
MathSource: Packages and Programs
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Study of the dynamic behavior of Three-Variable Autocatalator
[in
MathSource: Packages and Programs
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Successive First-Order Reversible Reactions
[in
MathSource: Packages and Programs
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Supercritical Adsorption in Small Pores
[in
Articles
]
Sur L'Identifiabilité Structurelle de la Réaction de Volmer-Heyrovsky
[in
Articles
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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
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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
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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
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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
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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
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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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