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MARTINDALE'S
CALCULATORS ON-LINE CENTER CHEMISTRY R-Z |
CARBON 14 DATING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS CALIB RADIOCARBON CALIBRATION (JAVA APPLET) - M. Stuiver, P.J. Reimer & R. Reimer, CALIB 14C Calibration Program, Queen's University of Belfast, Belfast, Ireland VERY VERY VERY...EXTENSIVE. CALIB Radiocarbon Calibration
Uncertainty in Delta R; Sample Counter; Lab Error Multiplier; Curve Smoothing in Years; etc..."
Marine Reservoir Correction Database
Radiocarbon Dating
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REDOX REACTIONS CALCULATOR - Department of Chemistry, University of North Carolina, Chapel Hill & The Shodor Education Foundation, Inc. VERY VERY EXTENSIVE. Redox Reactions Calculator Calculates "...the electrode potential for a half-reaction, with inputs being the concentrations and stoichiometric coefficients of the reactants and products, and the number of electrons transferred..." For more information see UNC-Chapel Hill Chemistry Fundamentals Program or The Shodor Education Foundation, Inc. |
SAS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SMALL ANGLE SCATTERING (SAS) SIMULATIONS & CALCULATIONS - M. Kriechbaum, Institute of Biophysics & X-ray Structure Research, Österreichische Akademie der Wissenschaften (Austrian Academy of Sciences), Austria VERY VERY VERY...EXTENSIVE. For more information see Institute of Biophysics & X-ray Structure Research or the Austrian Academy of Sciences
I(h) Function Calculator: "...calculates the scattering curve I(h) of models consisting of up to 8 spheres with different x/y/z coordinates and optionally different radii and different electron densities using the Debye-formula in reciprocal space..." P(r) Function Calculator P(r) Function Calculator "...calculates the distance-distribution function of concentric shell models (sphere D=3, disc D=2 or rod D=1). Enter the number of radii, the values for..." P(r) Function Calculator P(r) Function Calculator: "...calculates the distance-distribution function of models consisting of up to 8 spheres with the same radius and optionally different electron densities and different x/y/z coordinates using the Debye-formula in real space..." Rg Calculator (Radius of Gyration Calculator) Radius of Gyration Calculator: "...calculates the Radius of Gyration of concentric shell models. Enter the number of shells, the lengths of the respective semi-axis Rx(i), Ry(i) and Rz(i) (z is in the axis of rotation) and the..." Horizontal Slit Profile Calculator for SAXS Horizontal Slit Profile Calculator for SAXS: "...Enter the values for the horizontal focus length (f), horizontal slit aperture (s), where s must be equal or bigger than f, distance focus-to-slit (d1) and distance slit-to-focus (d2),..." SMALL ANGLE NEUTRON SCATTERING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
NCNR TOOLS - Center for Neutron Research (NCNR), Materials Science and Engineering Laboratory, NIST VERY VERY VERY...EXTENSIVE. For more information see Center for Neutron Research (NCNR)
Scattering Length Density Calculator: "...Given a chemical compound and a mass density in g/cm3 this applet can calculate the real and imaginary portions of the scattering length density of the material for neutrons and x-rays..." Calculate SANS Data on the Web Calculate SANS Data on the Web: "...calculate SANS data using any of 20 different particle models. You can also smear the SANS data using a set of instrument parameters..." Calculate Neutron Reflectivities on the Web Calculate Neutron Reflectivities on the Web: "...Make a model profile with layers, define the fronting and backing media and calculate neutron reflectivities..." |
MATERIALS ENGINEERING CALCULATORS CENTER OR THE ELECTRICAL ENGINEERING, COMPUTER SYSTEMS ENGINEERING, ETC. CALCULATORS CENTER
Examples from over "34" Introduction to Solid State Chemistry Video Lectures include
The Shapes of Molecules, Electron Domain Theory, Secondary Bonding Video Lecture; Intrinsic and Extrinsic Semiconductors, Doping, Compound Semiconductors, Molten Semiconductors Video Lecture; Introduction to the Solid State, the 7 Crystal Systems, the 14 Bravais Lattices Video Lecture; Characterization of Atomic Structure: The Generation of X-rays and Moseley's Law Video Lecture; Organic Glasses - Polymers: Synthesis by Addition Polymerization and by Condensation Polymerization Video Lecture; etc..." Solubility
IUPAC-NIST SOLUBILITY DATABASE - Data compiled and evaluated by the International Union of Pure and Applied Chemistry (IUPAC) and the Web database distributed by the Measurement Services Division, National Institute of Standards and Technology (NIST) Multimedia Solubility Database & Solubility Calculator (Text & Images). VERY VERY VERY...EXTENSIVE. "...Mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems are presented. Typical solvents and solutes include water, sea water, heavy water, inorganic compounds, and a variety of organic compounds..." Solubility Database includes
SOLUBILITY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Oxygen Solubility Calculator determines "...the O2 Saturation Concentration for water under various conditions..." Oxygen Solubility Calculator input values include: "...Salinity; Temperature; Altitude..." For more information see Point Four Systems Inc. SOLUBILITY CALCULATOR (JAVA APPLET) - B. Herreros, Department of Chemistry, University of Southern California (USC) Solubility Calculator for various Chemical Compounds. For more information see General Chemistry 105b Home Page; Course Web Pages; Java; Bruno Herreros Home Page or the Department of Chemistry |
Characteristics of Mass Spectra; Isotopes; Fragmentation Patterns; High Resolution Spectra; etc..."
UV-Visible Absorption Spectra; The Importance of Conjugation; etc..."
Group Frequencies..."
Carbon NMR Spectroscopy; etc..." SPECTROSCOPY TOOLS: 1H-WIZZARD (CHEMICAL SHIFTS): IR-WIZZARD (WAVE NUMBER); MS-WIZZARD (FRAGMENT OR LOSS MASS); ETC.. - Institut für Chemie, Universität Potsdamm, Bundesrepublik Deutschland (Germany) VERY VERY VERY...EXTENSIVE. Spectroscopy Courses include:
Enhanced IR-Wizard (more than 2000 entries)..."
NMR- Solvents; J(H,H)- Couplings; 13C chemical shifts Calculator; 17O chemical shifts; 13C chemical shift; etc..." SPECTROSCOPY - P.R. Young, Department of Chemistry, College of Liberal Arts and Sciences, University of Illinois, Chicago, Illinois Multimedia Spectroscopy Course (Text, Images & Animations). Spectroscopy Chapters include:
Proton & Carbon NMR; Mass Spectroscopy; Infrared Spectroscopy Problem Sets; 1H NMR Problem Sets; 13C NMR Problem Sets; Mass Spectroscopy Problem Sets; Integrated Spectroscopy Problems; etc..." WEBSPECTRA: PROBLEMS IN NMR AND IR SPECTROSCOPY - C.A. Merlic, Department of Chemistry & Biochemistry, Division of Physical Sciences, UCLA Multimedia Problems NMR & IR Spectroscopy Teaching Modules (Text & Images). Problems NMR & IR Spectroscopy
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Spectroscopy Courses include:
Enhanced IR-Wizard (more than 2000 entries)..."
NMR- Solvents; J(H,H)- Couplings; 13C chemical shifts Calculator; 17O chemical shifts; 13C chemical shift; etc..." SPECTROSCOPIC SIMULATOR (JAVA APPLET) - The Chemistry Collective & the Department of Chemistry, Carneigie Mellon University VERY VERY EXTENSIVE. Spectrometer Simulator "...simulates an infra-red spectrometer, allowing students to adjust the experimental and molecular parameters and observe the effects on the infra-red spectrum. Students may use the applet to first focus on each of the i ndividual concepts, within the context of the actual experiment, and then to integrate these concepts into a coherent whole..." For more information see Applets; The Chemistry Collective or the Department of Chemistry TIME-BANDWIDTH CALCULATOR (FEMTOSECOND LASERS FOR MICROMACHINING AND SPECTROSCOPY) - Clark-MXR, Inc. Time-Bandwidth Calculator
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Spectrometer Calculator is "...a Java-based 3-axis spectrometer simulator/resolution calculator/false peak calculator....It calculates angles and simulates scans. It also calculates several type of false peaks..." For more information see Andrey Zheludev's Home Page or the Neutron Scattering Group SPECTROPHOTOMETRY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Spectrophotometry Calculators include:
Effect of Cell Path Length Calculator; Effect of Concentration Calculator; Beer's Law Calculator; etc..." BLACK BODY EMISSION CALCULATORS & APPLETS
Black Body Calculator input values include:
Radiance or Emittance; Peak Wavelength; Efficiency..." BLACK BODY EMISSION CALCULATOR - W. McKinney & M. Martin, Electron Spectroscopy Group, Brookhaven National Laboratory VERY EXTENSIVE. Black Body Emission Calculator
EXTENDED BLACKBODY CALCULATOR - Santa Barbara Focalplane, Lockheed Martin VERY EXTENSIVE. Extended Blackbody Calculator
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"...Auger electron spectroscopy (AES) identifies elemental compositions of surfaces by measuring the energies of Auger electrons. Auger electron emission is stimulated by bombarding the sample with an electron beam..." Auger Electron Spectrometry Teaching Modules include:
Auger Electron Spectroscopy; Uses for AES; Limitations of AES; Auger Electron Energies; Elemental Quantitation; Auger Electron Emission Probabilities; Auger Depth Profiling; etc..." AUGER PARAMETER ENERGIES - UK Surface Analysis Forum Multimedia Auger Parameters Energies Database (Text & Images). VERY VERY EXTENSIVE. Auger Parameters Energies Database "...contains the energies of the principal photoemission and Auger lines and their corresponding Auger parameters for most of the elements..." For more information see Surface Science Databases or the Surface Analysis Forum: Surface Science Site X-RAY PHOTOELECTRON SPECTROSCOPY (XPS) DATABASE - C.D. Wagner, A.V. Naumkin, A. Kraut-Vass, J.W. Allison, C.J. Powell, J.R. Rumble Jr., National Institute of Standards and Technology (NIST) Multimedia X-ray Photoelectron Spectroscopy Database (Text & Images). VERY VERY VERY...EXTENSIVE. X-Ray Photoelectron Spectroscopy Database
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Click on Videos. Micromachining: Atomic Force Microscope Videos include:
Increasing the Throughput of the Atomic Force Microscope Video; High-Speed Atomic Force Microscopy Video; Integrated Actuator (for force feedback) AFM Cantilever Demonstration Video; etc..." APPLETS FOR THE THEORY AND PRINCIPLES OF SPM (SCANNING PROBE MICROSCOPY) - IN-VSEE: Interactive Nano-Visualization in Science & Engineering Education, Center for Solid State Science, College of Liberal Arts and Sciences, Arizona State University VERY EXTENSIVE. For more information see the IN-VSEE: Interactive Nano-Visualization in Science & Engineering Education or the Center for Solid State Science
Atomic Force Microscope Cantilever Calculator INPUT values include:
Material Density;..."
Resonant Frequency..." The Tunneling Current of AFM Tunneling Current of AFM - Tunneling Current for STM Calculator input values include:
Force Spectroscopy & Tapping Mode Calculator
Cantilever base excitation parameters; Cantilever quality and tip-sample interaction parameters; Type of tip; Type of surface force; Capillary interaction parameters; van der Waals interaction parameter; Capillary interaction parameters; etc..." SUBMICROMETER AND NANOMETER TECHNOLOGY VIDEOS (QUICKTIME) - George Barbastathis, Karl Berggren, Henry Smith, Department of Electrical Engineering & Computer Science, & the MIT OpenCourseWare, MIT Multimedia Submicrometer and Nanometer Technology Videos (Text, Images & Videos/Movies & Audio/Sound). VERY VERY VERY...EXTENSIVE. Submicrometer and Nanometer Technology Videos include:
SEM Sample Preparation Video; SEM Sample Mounting Video; Surface Profilometer Video; Atomic Force Microscope Video; etc..." |
Inductance of a Straight Wire Calculator input values include: "...Wire Diameter; Wire Length; Permeability..." Capacitance and Coating Properties Calculator Capacitance and Coating Properties Calculator input values include: "...Find Coating (Dielectric Constant, Thickness, Capacitance); Coating Information (Dielectric Constant, Thickness, Capacitance)..." GAMMA RAY SPECTROSCOPY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Gamma Calculator "...demonstrates the process of calculating equivalent ground concentrations of potassium (K), uranium (U) and thorium (Th) from measured raw count rates and spectrometer/system constants..." For more information see Radiation Geophysics CALCULATEUR GAMMA - Géophysique de rayonnement, Commission géologique du Canada VERY VERY EXTENSIVE. Calculateur Gamma "...montre comment les concentrations équivalentes au sol de potassium (K), d'uranium (U) et de thorium (Th) sont calculées d'après les taux de comptage bruts mesurés et les constantes des spectromètres/systèmes..." For more information see Géophysique de rayonnement GAMMA-RAY SPECTROMETRY CATALOGUE OF ISOTOPE SPECTRAL DATA - Gamma-Ray Spectrometry Center, Idaho National Laboratory (INL) Multimedia Gamma-ray Spectrum Catalogue of Isotope Spectral Data Database (Text & Images). VERY VERY VERY...EXTENSIVE. "...The INL's Gamma-ray Spectrum Catalogue is an attempt to compile spectra from various detector types and present these spectra with decay schemes and data tables based on the latest ENSDF data. It includes recently acquired Ge spectra and decay data as well as available spectra..." For more information see Gamma-ray Spectrum Online Catalogs; Gamma-Ray Spectrometry Center or the Idaho National Laboratory GAMMA RAY SPECTROMETRY APPLETS - GammaSpec.org, Department of Physics, University of Liverpool, U.K. For more information see the GammaSpec.org (High Resolution Gamma Spectrometry)
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INFRA-RED SPECTROSCOPY: IR HELPER - Department of Chemistry, Colby College, Waterville, Maine Infra-Red Spectroscopy
IR SPECTRA SIMULATION (TELESPEC) - J. Schuur, P. Selzer & M.C. Hemmer, The J. Gasteiger Research Group, Computer-Chemie-Centrum and Institut für Organische Chemie (Institute for Organic Chemistry), Universität Erlangen-Nürnberg, Erlangen, Bundesrepublik Deutschland (Germany) Multimedia Infrared Spectra Database (Text & Images). IR Spectra Simulation (TeleSpec) "...provides a tool for the simulation of infrared spectra, especially for compounds whose spectra are not available in any database..." For more information see Services; Techniques for Organic Reactions, Visualization, and Spectroscopy; Computer-Chemie-Centrum (Computer Chemistry Center) or the Institut für Organische Chemie (Institute for Organic Chemistry) WAVENUMBER CALIBRATION TABLES FROM HETERODYNE FREQUENCY MEASUREMENTS - G. Maki and Joseph S. Wells, National Institute of Standards and Technology (NIST) Multimedia Wavenumber Calibration Tables from Heterodyne Frequency Measurement Database (Text & Images). "...The atlas and wavenumber tables consist of many pages of spectral maps accompanied by tables of transition wavenumbers and their identity. The tables are calculated from molecular constants derived for this work and based on frequency measurements..." For more information see High-Accuracy Molecular (Spectroscopy) Wavelengths; Optical Frequency Measurements Group; Time & Frequency Division or the National Institute of Standards and Technology (NIST) |
Diatomic Molecule Spectrum Calculator input values include:
Upper State (Singlet, Doublet, Triplet, Quartet, etc.); (Signa+, Signa-, Pi, Delta, etc.); Lower State (Singlet, Doublet, Triplet, Quartet, etc.); (Signa+, Signa-, Pi, Delta, etc.); MASS SPECTROMETRY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
FTICR Calculators include:
Transient Length Required for a Desired Mass Resolution Calculator; Low Mass Limit in Broadband Mode Calculator; Set Mass Range in Narrowband Mode Calculator; Transient Length, Number of Data Points, Bandwidth Calculator..." MASS SPECTROMETRY TOOLS - Department of Chemistry, Colby College, Waterville, Maine VERY VERY VERY...EXTENSIVE. For more information see Department of Chemistry
Fragment Finder Calculator "...finds the possible formulas that match a given molar mass..." Isotope Cluster Isotope Cluster Calculator "...calculates the isotope pattern for a given molecular formula. It includes 3rd and 4th period representative and transition metal elements..." Metal Complex Finder Metal Complex Finder Calculator input values include:
Ligand 1 (OAc, CO3, ox, tartrate, cit, acac); Ligand 2 (tris, Ala, Arg, Asn, Asp, etc.); Accessory Ligand 1 (NH3, H2O, OH, F, Cl, Br, etc.); Accessory Ligand 2; Accessory Ligand 3; Counter Ion; etc..." Pentanucleotide Mass Finder Pentanucleotide Mass Finder Calculator "...finds oligonucleotide sequences that match an input m/z. The oligonucleotide can have up to 5 bases. The nucleotides can be in their hydrogen or alkali metal ion forms..." Tripeptide Mass Finder Cross-linker Calculator "...Finds all possible cross links, digests the proteins, and lists the monoisotopic mass of each cross-linked peptide..." Mass Spectrometry Calculator & Beynon Table: "...computes high resolution molecular masses and isotope peak abundances for ions and generates a Beynon table for a given mass number..." For more information see Chemistry Resources at Davidson College; Chemistry Experiments and Exercises; David N. Blauch or the Department of Chemistry MASS SPECTROMETRY ADDUCT CALCULATOR - O. Fiehn, UC Davis Genome Center, University of California, Davis VERY EXTENSIVE. Mass Spectrometry Adduct Calculator "...allows you to identify some adduct ions from ESI-MS (electrospray) mass spectrometry measurements or other soft ionization techniques like CI-MS or FI-MS or FD-MS or APCI-MS..." For more information see Metabolomics or the Fiehn Research Laboratory or the UC Davis Genome Center MASS SPECTRUM ISOTROPE PATTERN CALCULATOR - A.K. Brisdon, Fluorine Chemistry, School of Chemistry, University of Manchester, U.K. Mass Spectrum Isotope Pattern Calculator calculates "...the mass spectrum isotope pattern for a compound or complex..." For more information see Chemistry Research Tool; Fluorine Chemistry, Alan Brisdon's Home Page or the School of Chemistry MASSSPECTATOR CALCULATOR: ADVANCED SYNTHETIC POLYMER MASS SPECTRAL DATA ANALYSIS - Center for Theoretical and Computational Materials Science, NIST VERY VERY EXTENSIVE. MassSpectator Calculator "...is a mathematical method that locates, and calculates the area beneath, peaks from mass spectra using only reproducible mathematical operations and no user-selected parameters. It makes no assumptions about peak shape and requires no smoothing or preprocessing of the data..." "...The input files must be simple ASCII text files of two columns: one for mass and one for ion intensity..." For more information see MassSpectator Calculator or the Center for Theoretical and Computational Materials Science ISOTOPE DISTRIBUTION CALCULATOR - Developed by J.J. Manura & D.J. Manura,, Scientific Instrument Services Isotope Distribution Calculator calculates "...the mass isotopes and their relative intensities and display the data both in chart or tabular form as well as in a mass spectrum chart form..." For more information see Mass Spec Tools or Scientific Instrument Services NUCLEIC ACIDS MASSPEC TOOLBOX - J.A. McCloskey, P.F. Crain, & J. Rozenski, Huntsman Cancer Institute, University of Utah VERY VERY EXTENSIVE. For more information see the Huntsman Cancer Institute
Oligonucleotide Mass Calculator "...calculates also electrospray series, CID fragments, endo- and exonuclease fragments. Includes the possibility for calculating modified residues..." Oligo Composition Calculator Oligo Composition Calculator "...Finds nucleotide compositions from a given mass. User defined residues can be included..." |
MAGNETIC RESONANCE IMAGING SPECTROSCOPY CALCULATORS & APPLETS NMR AND MRI RELATED TOOLS - SpectroscopyNow.com, John Wiley & Sons, Ltd. VERY VERY EXTENSIVE. For more information see the SpectroscopyNow.com
Pulse Length/Power Level Calculator input valus include:
Generalized Karplus Calculator Generalized Karplus Calculator input values include:
NMR Temperature Measurements Calculator NMR Temperature Measurements Calculator input values include:
1 Chemical Shift Prediction Calculator input values include:
Alpha Substituents; Beta Substituents; Gamma Substituents..." JD: Spin-Spin Splitting Simulation JD: Spin-Spin Splitting Calculator input values include:
RAMAN SPECTROSCOPY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
"...This experiment is based around interaction with a computer simulation of a Raman spectrum..." For more information see 6.05 Computational Raman Spectroscopy; Undergraduate Experiments: Second/Third Year Experiments; Undergraduate Practical Course in Physical Chemistry; Hugh Cartwright's Home Page or the Physical and Theoretical Chemistry Lab
Rotational Raman Spectroscopy Rigid Rotor Model Calculator "...uses the Rigid Rotor model to simulate the Rotational Raman Spectrum of an hypothetical molecule, excited with a 333nm laser...." RUTHERFORD BACKSCATTERING SPECTROSCOPY CALCULATORS & APPLETS
Rutherford Backscattering Spectrometry Teaching Modules include:
Layer Thickness Measurements; Elemental Concentrations; Straggling; Channeling; Density Effects; etc..." SECONDARY ION MASS SPECTROMETRY CALCULATORS & APPLETS
Secondary Ion Mass Spectrometry Teaching Modules include:
Secondary Ion Yields; Relative Sensitivity Factors; RSF Tables; Depth Profiling; Depth Resolution; Bulk Analysis; Mass Spectra; Mass Interferences; Ion Imaging; etc..." |
COMPUTED SPECTRAL DATA 3D-VISUALIZAION (COMSPEC 3D) - F. Oellien & Wolf-D. Ihlenfeldt, The J. Gasteiger Research Group, Computer-Chemie-Centrum and Institut für Organische Chemie (Institute for Organic Chemistry), Universität Erlangen-Nürnberg, Erlangen, Bundesrepublik Deutschland (Germany) Multimedia Database (Text & Images). VERY VERY EXTENSIVE. Computed Spectral Data 3D-Visualization (ComSpec3D)
"...All data related to the IR and raman spectra like frequencies and normal modes are based on quantum-mechanical calculations performed with the semi-empircal programm VAMP (PM3 method)..." RAMAN SPECTRA DATABASE OF MINERALS AND INORGANIC MATERIALS (RASMIN) - National Institute of Advanced Industrial Science and Technology (AIST), Japan Multimedia Raman Spectra Database of Minerals and Inorganic Materials (Text & Images). VERY VERY VERY...EXTENSIVE. In English & Japanese. "...Raman spectroscopy can offer valuable information on the physics and the chemistry of materials, such as phase transition, lattice dynamics, chemical reaction, identification, and more..." Raman Spectra Database of Minerals and Inorganic Materials Database includes:
Molecular Spectral Databases MOLECULAR SPECTRAL DATABASE: DIATOMIC, TRIATOMIC & HYDROCARBON SPECTRAL DATABASES - National Institute of Standards and Technology (NIST) Multimedia Molecular Spectral Databases (Text & Images). VERY VERY VERY...EXTENSIVE. Molecular Spectral Databases include the
"...Each of the databases covers primarily the microwave region with some data available for the radio frequency region..." "...Rotational spectral lines for 121 diatomic molecules, 55 triatomic molecules, and 91 hydrocarbon molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, and reference are given..." |
NMRSHIFTDB - Hosted by the: Cologne University Bioinformatics Center; Sponsored by: Max Planck Institute of Chemical Ecology; Deutsche Forschungsgemeinschaft (German Research Foundation) & Advanced Chemistry Development, Inc., (ACD/Labs) Multimedia Organic Structures Database (Text, Images & 3D Modeling). VERY VERY VERY...EXTENSIVE. NMRShiftDB
NMR Spectra: Proteins, Peptides, Nucleic Acids BIOLOGICAL MAGNETIC RESONANCE DATA BANK (BMRB) - Department of Biochemistry, University of Wisconsin, Madison, Wisconsin Multimedia NMR Spectroscopic Database (Text & Images). VERY VERY VERY...EXTENSIVE. Biological Magnetic Resonance Data Bank is a
15N Chemical Shifts; 31P Chemical Shifts; Coupling Constants; Dipolar Couplings; Heteronuclear NOE Values; H-Exchange Rates; etc..." Structure; Time-domain sets; Solid-state NMR..." Spectral Database for Organic Compounds SPECTRAL DATA BASE SYSTEM FOR ORGANIC COMPOUNDS (SDBS) - National Institute of Advanced Industrial Science and Technology (AIST), Japan Multimedia Spectral Database for Organic Compounds Database (Text & Images). In English & Japanese. VERY VERY VERY...EXTENSIVE. Spectral Database for Organic Compounds Database
Fourier Transform Infrared Spectrum (FT-IR); 1H nuclear magnetic resonance (NMR) spectrum; 13C NMR Spectrum; Laser Raman Spectrum; Electron Spin Resonance (ESR) Spectrum..."
X-Ray Photoelectron Spectroscopy X-RAY PHOTOELECTRON SPECTROSCOPY (XPS) DATABASE - C.D. Wagner, A.V. Naumkin, A. Kraut-Vass, J.W. Allison, C.J. Powell, J.R. Rumble Jr., National Institute of Standards and Technology (NIST) Multimedia X-ray Photoelectron Spectroscopy Database (Text & Images). VERY VERY VERY...EXTENSIVE. X-Ray Photoelectron Spectroscopy Database
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Spectrum Analysis Amplitude & Frequency Modulation "...discusses the measurement of amplitude and frequency modulated signals using a spectrum analyzer. The basic theory behind AM and FM modulation including time and frequency domain representations is presented..." For more information see Agilent Technologies Steam Properties
PROPERTIES OF WATER AND STEAM CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS PROPERTIES OF WATER AND STEAM (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Properties of Water and Steam Calculator
Properties of Water & Steam Calculator INPUT values include:
Density; Isobaric Heat Capacity; etc..." THERMODYNAMIC PROPERTIES OF SATURATED STEAM (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Thermodynamic Properties of Saturated Steam Calculator
Thermodynamic Properties of Saturated Steam Calculator INPUT values include:
Units (SI or English)..."
THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS (JAVA APPLETS) - National Institute of Standards and Technology (NIST) VERY VERY VERY...EXTENSIVE. Thermophysical Properties of Fluid Systems Calculator INPUT values include:
Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc..."
Viscosity; Surface Tension..."
Saturation Properties..."
Auxiliary Data
Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment..." etc. |
THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS CALCULATORS & APPLETS THERMOPHYSICAL PROPERTIES OF WATER VAPOR CALCULATORS & APPLETS THERMODYNAMIC PROPERTIES OF SATURATED STEAM (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Thermodynamic Properties of Saturated Steam Calculator
Thermodynamic Properties of Saturated Steam Calculator INPUT values include:
Units (SI or English)..."
THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS (JAVA APPLETS) - National Institute of Standards and Technology (NIST) VERY VERY VERY...EXTENSIVE. Thermophysical Properties of Fluid Systems Calculator INPUT values include:
Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc..."
Viscosity; Surface Tension..."
Saturation Properties..."
Auxiliary Data
Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment..." etc. |
STOICHIOMETRY OF CHEMICAL REACTIONS (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Stoichiometry of Chemical Reactions Calculator (Stoichiometry Calculator)
STOICHIOMETRY SOLVER (JAVA APPLET) - R. Hammer, Department of Chemistry, University of Wisconsin, Madison VERY EXTENSIVSE. Stoichiometry Calculator input values include: "...Stock Solution; Desired Concentration; Volume; Volume of Stock Solution..." For more information see Interactive Chemistry; Hamers Group or the Department of Chemistry PYROTECHNIC STOICHIOMETRY CALCULATORS & APPLETS
Pyrotechnic Stoichiometry Calculator input values include:
Select Oxidiser "...Ammonium Perchlorate; Barium Peroxide; Chromium (III) Oxide; Lead (II,IV) Oxide; Potassium Perchlorate; etc..." |
AN INTRODUCTION TO SURFACE CHEMISTRY - R. Nix, Surface Chemistry, Catalysis, Nanostructures and Solid Interfaces, School of Biological & Chemical Sciences, Queen Mary & Westfield College, University of London, U.K. Multimedia Surface Chemistry Course (Text, Images & Animations). VERY VERY EXTENSIVE. Surface Chemistry
Energetics of Surfaces; Particulate Metals; etc..."
Kinetics of Adsorption; Adsorbate Geometries & Structures; etc..."
Variation of Surface Coverage with T & P; etc..."
Auger Electron Spectroscopy; Photoelectron Spectroscopy; Vibrational Spectroscopy; Secondary Ion Mass Spectroscopy; Temperature Programmed Techniques; etc...."
Imaging XPS; SIMS Imaging & Depth Profiling; Auger Depth Profiling; Scanning Probe Microscopy; etc..." ATOMS & MOLECULES AT SURFACES - P. Moriarty, School of Physics & Astronomy, University of Nottingham, U.K. Multimedia Surface Physics Course (Text, Images & Animations). VERY VERY EXTENSIVE. Atoms & Molecules at Surfaces
Crystal Planes & Surfaces; Relaxation, Reconstruction & Surface Crystallography; Defects at Surfaces; etc...."
Pressure Measurement; etc..."
Chemisorption; Nucleation and Thin Film Growth; etc..."
Tight Binding Model; Semiconductors and Surface States: Band Bending & Electron Counting; etc..."
Structural Analysis; Vibrational Spectroscopies; Electron Spectrometers; etc..."
STM Design and Instrumentation; etc...." SURFACE ANALYSIS & MATERIALS CHARACTERIZATION - Evans Analytical Group Multimedia Surface Analytical Techniques Course, Teaching Modules, Applications, Presentations (Text, Images & Animations). Surface Analytical Techniques provides
Quantitative Surface Analysis: Electron Spectroscopy Techniques Teaching Modules include:
Surface Sensitivity of Electron Beam Techniques; The Auger Effect; The Photoelectric Effect; X-ray Photoelectron Spectroscopy (XPS); Auger Electron Spectroscopy (AES); Elastic Peak Electron Spectroscopy (EPES); etc..." |
SURFACES AND THIN FILMS - J.A. Venables, Department of Physics, College of Liberal Arts and Sciences, Arizona State University; and Honorary Professor, Department of Physics and Astronomy, University of Sussex, U.K. Multimedia Surfaces and Thin Films Course (Text & Images). VERY VERY EXTENSIVE. Examples of Surfaces and Thin Films Chapters & Subchapters include:
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Surface Structure, Deposition & Adsorption Calculator input values include:
CRYSTAL SURFACE ANALYSIS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
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FOR RELATED CALCULATORS/DATABASES SEE SPECTROSCOPY FOR RELATED CALCULATORS/DATABASES SEE MICROSCOPY AUGER PARAMETER ENERGIES - UK Surface Analysis Forum Multimedia Auger Parameters Energies Database (Text & Images). VERY VERY EXTENSIVE. Auger Parameters Energies Database "...contains the energies of the principal photoemission and Auger lines and their corresponding Auger parameters for most of the elements..." For more information see Surface Science Databases or the Surface Analysis Forum: Surface Science Site SPECTROMETRICS SURFACE ANALYSES, (XPS, AES, and UPS) & INELASTIC MEANS FREE PATH (IMFP) - GRAPHERS & SIMULATIONS - Thermo Electron Corporation, France For more information see XPS, AES, UPS and ESCA X-RAY PHOTOELECTRON SPECTROSCOPY (XPS) DATABASE - C.D. Wagner, A.V. Naumkin, A. Kraut-Vass, J.W. Allison, C.J. Powell, J.R. Rumble Jr., National Institute of Standards and Technology (NIST) Multimedia X-ray Photoelectron Spectroscopy Database (Text & Images). VERY VERY VERY...EXTENSIVE. X-Ray Photoelectron Spectroscopy Database
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Aromatic Compound Synthesis Calculator "...Select a reactant and a reagent to see the product of a reaction, or select a reactant and a product to search for a pathway. Once the pathway is displayed, click on a step number..." For more information see Organic Chemistry Toolkit; Chemistry Courses Toolkit or the Department of Chemistry SYNTHESIS CALCULATOR - S.C. Moratti, Melville Laboratory for Polymer Synthesis, Materials and Polymer Synthesis and Characterisation, Department of Chemistry, Cambridge University VERY EXTENSIVE. Synthesis Calculator "...will help you calculate the amounts needed for a chemical synthesis or to check a known synthesis..." Synthesis Calculator input values include:
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IEC 751 PRT UTILITY - Isotech, U.K. EC 751 PRT Calculator input values include:
Coefficients; Calculate Custom Probe Coefficients; Select Ro or Rwtp..." RTD CALCULATOR (RESISTANCE TEMPERATURE DETECTORS CALCULATOR) - Capgo Pty Ltd Resistance Temperature Detectors (RTDs)
Resistance Temperature Detector (RTD) Resistance at 0 Degrees C.; Resistance Temperature Detector (RTD) Type; Temperature Units; Temperature..." SENSOR CALC - Minco Products, Inc. VERY VERY EXTENSIVE. Sensor Calculator
THERMISTOR CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Thermistor Calculator input values include:
Calibration Points or Thermistors Constants; Resistance..." For more information see Thermistor Temperature Sensors; Introduction to Temperature Measurement; Temperature; Online Resources or Capgo THERMOCOUPLE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Thermocouple Calculator
ZERO BALANCE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Zero Balance Calculator
Shunt Calibration Calculator input values include:
Span Adjustment Calculator Span Adjustment Calculator input values include:
THERMOCOUPLE DATABASE
THERMOCOUPLE DATABASE - Thermometry Group, Process Measurements Division, Chemical Science & Technology Laboratory, National Institute of Standards and Technology (NIST) Multimedia Thermocouple Database (Text & Images). VERY VERY VERY...EXTENSIVE. Thermocouple Database: "...NIST reference functions and tables of thermocouple electromotive force (emf) versus temperature have been adopted as standards by the American Society for Testing and Materials (ASTM) and the International Electrotechnical Commission (IEC)..." For more information see Thermometry Group; Process Measurements Division; Chemical Science & Technology Laboratory; NIST Online Databases or the National Institute of Standards and Technology (NIST) |
"...Created for learning, teaching, and practicing thermodynamics, TEST offers analysis tools for property evaluation of hundreds of working substances, energy, entropy, and exergy analysis of open and closed systems, IC engines, gas and vapor power cycles, refrigeration, HVAC, combustion, chemical equilibrium, and gas dynamics..." For more information see The Expert System for Thermodynamics (Alternative URL) or the Department of Mechanical Engineering THERMODYNAMICS & STATISTICAL MECHANICS - R. Fitzpatrick, Department of Physics, University of Texas, Austin, Texas Multimedia Thermodynamics & Statistical Mechanics Course (Text & Images). VERY VERY EXTENSIVE. Examples of Thermodynamics & Statistical Mechanics Chapters include:
Statistical Thermodynamics; Classical Thermodynamics; Applications of Statistical Thermodynamics; Quantum Statistics; etc..." THE THERMAL WIZARD - MAYA Heat Transfer Technologies Limited, Montreal, Québec, Canada Multimedia Thermal Database & Thermal Calculators (Text & Images). VERY VERY VERY...EXTENSIVE. Thermal Wizard
Conduction Across Multilayered Isothermal Cylinder Calculator; Thermal Interface (Contact) Resistance and Temperature Difference Calculator; Rectangular Thin Plate Embedded in Semi-Infinite Medium Calculator; etc..."
Forced Convection in the Fully Developed Region of a Duct Calculator; Forced Convection Across Isothermal Square Rod Calculator; Natural Convection in a Vertical Parallel Plate Channel Calcultor; Natural Convection between Horizontal Concentric Cylinders Calculator; etc..."
Radiation between Parallel Disk Surfaces of Unequal Radius Calculator; etc..."
Head Loss Across a Thin Perforated Plate Calculator; Head Loss Across Louvers Calculator; etc..." |
Computational Chemistry Comparison and Benchmark Database contains
Rotation and Moments of Inertia; Bond orders from AIM analysis; Point Group for a given molecule at different levels of theory; etc..."
Vibrational frequencies, intensities and reduced masses; Compare reduced masses for a given vibrational mode; Bad Vibrational Frequency calculations; etc..."
Barriers to Internal Rotation; Nuclear repulsion Energies; etc..."
Electric dipole moments; Polarizabilities; etc..."
Compare calculated vibrational intensities vibrations; Compare energy difference of a single point calculation; Calculated properties for several species; etc..." THERMOCHEMICAL AND CHEMICAL KINETIC DATA FOR FLUORINATED HYDROCARBONS - D.R.F Burgess, Jr., M.R. Zachariah, W. Tsang & P.R. Westmoreland, Chemical Science and Technology Laboratory, National Institute of Standards and Technology Multimedia Thermochemical Database & Chemical Kinetic Database for Fluorinated Hydrocarbons (Text & Images). VERY VERY VERY...EXTENSIVE. Thermochemical Database & Chemical Kinetic Database for Fluorinated Hydrocarbons
THERMOCHEMICAL DATABASE OF GASES AND CONDENSED MATERIALS - National Institute of Materials and Chemical Research, National Institute of Advanced Industrial Science and Technology (AIST), Japan Multimedia Thermochemical Database (Text & Images). VERY VERY VERY...EXTENSIVE. In English & Japanese. Thermochemical Database of Gases and Condensed Materials
"...Combustion and explosion of ideal gases, mist and dust are calculated..." Explosive Hazards of Condensed Materials "...calculates detonation, explosion and explosive hazards..." Shock Wave Data of Condensed Media |
THERMAL CHEMIC |