MP & Associates
Κατάλογος Επιστημονικού Λογισμικού
Στην κατηγορία αυτή των προγραμμάτων περιλαμβάνονται προγράμματα για χημικούς μηχανικούς που βοηθούν στην οπτική παρουσίαση τύπων, στη δημιουργία μοντέλων δομής των ενώσεων μεγάλης ακριβείας, στη διαχείριση χρωματογραφικών δεδομένων, στον έλεγχο δόσεων, στη σχεδίαση διαγραμμάτων αλλά και σε παρουσιάσεις. Αναλυτικά περιλαμβάνονται τα παρακάτω προγράμματα:
Accord for Excel
- Provides chemical spreadsheet facilities within Microsoft Excel. Produce R-group tables, name sustituents, search by chemical structure, sort by similarity and calculate chemical properties. Works with most chemical database and drawing programs.
Activity Coefficients Calculator
- A toolkit that allows you to create chemically-aware applications using desktop programming tools, such as Visual Basic, C, Access, Word and Excel. Provides capabilities for import/export, searching, display and chemical calculations.
Activation Energy Calculator
- Predict vapor pressure, enthalpy and entropy of vaporization for liquid hydrocarbons from their molecular structure based on group additives. Includes a database with hundreds of compounds.
Analytical Chemisty Calculations using Lotus 1-2-3
- Calculate the rate constant for a chemical reaction and activation energies using several rate constants and temperatures. Graphics results.
- Learn how to apply the power of electronic spreadsheets to large variety of topics in analytical chemisty calculations and graphics.
- Balance anion and cation results to check analyses. Set acceptance limits for anion-cation balance.
- Atomic structure display program for crystal, molecule or polymer structures. 286 version displays 2.700 atoms. 386/486 displays 8.000 atoms. Macversion displays 4.000 atoms. Optional cilicate structure library includes 25 representative structures.
- Balance equations from chemical formulas including non-stochiometric compounds. Spreadsheets for molecular weight, solution amount and concentration. Calculate elemental composition, maintain inventories of equations, regeant concentrations and abbreviations.
CheMentor: Calculating Chemical Fornmilae
- Mass Spectroscopy Library search system featuring Probability-Based Matchning (PBM) to identify unknown mass spectra againstt the Wiley Registry of Mass Spectral Data. Includes more than 230.000 reference EI spectra.
- Designed as an adjunct to lectures these modules present students with problem sets and tutorials while exploring vanous stages of a problem, students can get immediate feedback to their work, reference properties of elements while solving problems, review individual problem-solving rationale and expenment with different strategies. Includes problems on calculating the stoichiometric composition and chemical formulae of solids, liquids, and gases for different reactions.
- CAChe add-on. Brings exponents into the context of a complete RandD project. Creates tables so chemists can easily study compounds. Select properties you wish to estimate and choose the computational method from an extensive list. ProjectLeader performs the calculations and calculates results for further analysis.
- Creates 3D models of chemical structures. Use cut-and-paste within Chem3D/plus or import atomic coordinate data from otther programs. Enery minimization, molecular dynamics, color shading and MM2 potential modeling.
- Το ChemBuilder3D είναι το ΝΕΟ πρόγραμμα για την δημιουργία εξαιρετικά ακριβών 3D μοντέλων για μοριακό σχεδιασμό. Η προσθήκη του προγράμματος αυτού προσθέτει τις άμεσες δυνατότητες κατασκευής που είναι τόσο συχνά απαραίτητες. Το ChemBuilder3D συνδέεται απευθείας με το Sculpt και διαβάζει αι γράφει αρχεία PDB, MM3, MacroModel, και MDL Mol.
- All of the features of ChemDraw plus user defined templates, color and tools for integrating ChemDraw structures with databases as Chemical Abstracts and MACCS.
Win, Mac, UNIX
Chemical Inventory System
- Complete desktop solution for drawing, modeling and information management. ChemOffice/Pro includes ChemDraw/Pro, Chem-3D/Pro and ChemFinder in a seamlessly integrated product.
- Track lab chemicals and supplies by CAS number, description and general hazard, vendor and catalog numbers, storage location and quantities. You can add synonyms, trach orders, set warning levels, document the date and amount used by each user and print a variety of reports.
- Designed specifically for chemists, the Windows based screen saver features 3D molecular animations, a library of more than 150 structures from which to choose. You can even add your own molecules.
ChemTutor 1: Chemical Equilibrium, Acid-Base Chemistry & Chemical Bonding
- Simulates chemical equilibrium and kinetic experiments in connected reaction vessels. Includes equilibnum properties for 1200 compounds. Multi-phase interactions in each vessel, isothermal or adiabatic conditions, chemical reactions generated from species.
ChemTutor 2: Stoichiometry and Gas Laws
- Tutonal features stimulating graphics and detailed illustrations and combines deduction and induction where appropriate and includes a substantial number of question types (fill-in, multiple choice, matching, labeling, painng, and vocabulary). This module covers chemical equilibnum, acid-base chemistry and chemical bonding.
ChemTutor 3: Thermal Chemistry and Chemical Kinetics
- Tutonal features sumulating graphics and detailed illustations. It combines deduction and induction where appropnate and includes a substantial number of question types (fillin, multiple choice, matching, labeling, pairing, and vocabulary). This module covers chemistry and chemical kinetics.
- Tutonal features stimulating graphics and detailed illustrations. It combines deduction and induction where appropriate and includes a substantial number of question types (fill-in, multiple choice, matching, labeling, pairing, and vocabulary). This module covers thermal chemistry and chemical kinetics.
- Tutorial features stimulating gnaphics and detailed illustrations. It combines deduction and induction where appropriate and includes a substantial number of question types (fill-in, multiple choice, matching, labeling, pairing, and vocabulary). The three-part ChemTutor Series may be purchased as a complete set or individually.
Concentrated Chemical Concepts
- Track chemicals through scientific labs. Barcoding improves efficiency and insures that all users have access to accurate information. Users have immediate access to the inventory fromtheir computers. Search by name, formula, location, etc. On-screen map shows exact location (room and cabinet) for the chemical. Provides NFPA labels, SARA Tier 1 and 2 reports, chemical structure searching from CSC ChemFinder. Ask about advanced versions CITE Pro and CITE Deluxe.
Concepts in General Chemisty
- Includes 98 lessons intended for one year chemisty courses for health science majors or chemisty for non-majors. Includes general, organic, and biochemistry, moles, reactions, Boyles law, acid and bases, solubility, pH, Hess'law, Stochiomentry, Ideal Gas law,, buffers, orbitals, isomers, alkanes, hydrocarbons, aldehydes, alcohols, benzene derivatives, esters, amines, amides, isomers, and more.
- A program to build skills for the basic principles of chemisty including the mole concept, chemical stochiometry, chemical reactions, oxidation-reduction reactions, reactions in aqueous solutions and ionic equilibrium.
- Converts chemical structure files from a number of common formats interactively or in batch mode. Calculates coordinates, too. Converts Hawk Scientific, HyperChem, Molecular Design, ISIS, Beilstein Institute, SMILES, ShemDraw, Alchemy, Kekule, PCMODEL, BioCAD and Softshell formats. Can also convert chemical structure files into WordPerfect, CGM, HP-GL, EPS and PICT files. Supports molecules up to 600 atoms and 600 bonds per molecule.
- Supplements university-level chemistry lectures and textbooks. Intended as a library or resource center review module, the program presents a highly visual introduction to solid-state Stuture and crystallography. Pictures, including short animations, help students visualize the spatial relations of complex three-dimensional structures. The program covers lattices and unit cells.
- Illustrates the translation, rotation and vibrations of diatomic molecules. Features classical mechanics, quantum mechanics and statistical mechanics.
Easy C Base
- Eliminate dilution errors. Calculate dilution volumes for up to ten serial dilutions from any stock concentration. Compensate for unit changes; calculates intermediate dilutions.
- Combines a 2D organic structure drawing and database in one. Easy single point-and click drawing with automatic molecular weight and formula calculation. Generates compact files.
- Introduction to acid-base chemisty, thermal chemisty, chemical bonding, stochiometry, gas laws, chemical kinetics and chemical equilibrium.
Enzyme rate Calculator
- Combustion calculator for fuels, organic wastes and VOCs. Incinerator Design and operational planning. Products of combustion, combustion temperatures, destruction efficiencies and estimation of combustion properties.
ESP- Experimental Section Program
- Calculates the Michaelis constant Km, the limiting velocity Vmax and the inhibition constant Ki for the rate od catalysis by enzymes based on the Michaelis-menton Equation.
GPMAW - General protein Mass Analyzer
- An electronic card file to help you organize data. Works just like a notebook. ESP prepares ready-to-publish experimental sections using the Journal of the ACS format. Includes fields for melting and boiling points, chromatography mobility, H-1, C-13, IR, UV-V spectroscopy, mass spectroscopy, elemental analysis, optical rotation, molecular structure, procedure notes and additional user-defined fields.
HSC Chemisty for Windows
- Powerful and easy-to-use protein chemisty simulation. Cleavage at any molecular weight or amino acid. Data on resulting peptides includes HPLC Index, Mass, Bull-and-Breeze Index, etc.
Industrial Surfactant Electronic Handbook
- Chemical reaction and equilibrium software which automatically utilizes an extensive thermochemical database equivalent to 5 thivk data books. Includes seven different calculation options.
Inorganic Detection Scheme
- Contains detailed information on more than 16.000 trade-name surface-active agents. Includes full text search, hypertext and precialized indices to help you find the information you need. Includes complete contact information for all trade-name manufacturers.
Inorganic Qualitative Analysis
- Identufy 17 unknown metal ions based on the precipitation of insoluble chlorides, acid-insoluble sulfides, base-insoluble sulfides, insoluble carbonates and alkali metal ions.
- Study seven inorganic cations and four anions. Add reagents, heat, centrifuge or decantation. Results are displayed as full color digitized video images. Explore reactions and solve unknowns.
- Calculate the isoelectric point of molecules with acidic and basic substituents using an enhanced Henderson-Hasselbalch method. Calculates molecular charge and finds pH for a net zero charge.
- Menu-driven chemical or biochemical lab calculator that includes molecular weights of compounds, mixing 2 solutions with different concentrations, photometry, enzyme kinetics and more.
- 3 audio/visual timers that can be set as stopwatches or as count-down timers with alarms. Multiple instances can be executed to time multiple tasks.
- Calculate reagent weights, dilution volumes and solution concentrations easily and accurately. Convert between molarity, weight/volume and weight percent. Masintain inventories of reagents, formula weights and stock solution concentrations.
- Calculate average and exact mass easily. Convert grams, ounces, or pounds to moles. Determine empirical formulas from experimentally derived elemental analysis.
- Tools for correlation of structure and mass spectra. Analysis and simulation of complex peak patterns, determination of fragment structure and formula from low-resolution spectra and analysis of metastable ions.
- MacStereo's animated tutorials and simulations clarify the Cahn-lngold-Prelog (CIP) stereochemical designation. Presents nine problems of increasing complexity that teach students the correct designation procedure for the majority of molecular types encountered in intro organic chemistry. Hints and clues throughout the program coax students toward correct answers. A section demonstrates molecular rotations, simple stereochemical designations for alkalines and simple stereochemical operations.
- Eliminate time-consuming and error-prone methods of correlating structure fragments to peaks observed in a mass spectrum.
Mathcad Selected Tables from CRC Handbook of Chemisty and Physics Electronic Book
- GC/MS data and library file conversion software that supports 38 popular data file formats and 8 library formats. View, translate and consolidate files from Hewlett-Packard, Finnigan, VG, JEOL and others.
MATLAB Chemometrics Toolbox
- Includes basic constants, units and conversion factors; properties of the elements including melting, boiling and critical temperatures, thermal conductivity and heat capacity, atomic weights; the genetic code and properties of fatty acides, amino acids, prurine and pyrimidine bases; CODATA key values for thermodynamics,standard thermochemical properties of chemical substances, enthalpy of inorganic and organic fusion, enthalpy of vaporization of inorganic and organic fusion, enthalpy of vaporization of inorganic and organic substances, thermodynamic properties of ice, water, deuterium oxide and air; standard solutions for acides, bases, salts and oxidation and reduction reagents, dissication constants of inorganic and organic acides in aqueous solutions; ionic radii in crystals, thermal and physical properties of pure metals; properties of organic solvents and common pollutants, threshold values of airborne contaminants. Requires MathCad 13.
Molecular Energy Calculator
- Tools for calibration matrix development and evaluation, quantitative analysis methods development, multiple linear regression, principal components regression and partial least squares. Requires MATLAB.
Molecular Weight Calculator
- Calculates the average molecular speed of an element at differrent temperatures by entering the weight and temperature. Calculates the nuclear binding energy and spectral lines.
- Calculate molecular weight of compounds and isotopes. Enter solute formula to make solutions of desired concentration. Calculates percent elemental composition. Save chemical formulas in a compound library.
- Calculate radioactive decay, half-life and the age of a material based on either radioactive dating or carbon dating.
- Introduction to IUPAC nomenclature covering alkenes, alkanes, cycloalkanes, alkynes, halides, ethers, alcohols, aldehydes, ketones, carboxylic acids, esters, amides, acid derivatives, aromatic compounds, amines and nitrogen compounds.
- Up-to-date and easy-to-use database of the periodic table and properties of elements. Features graphic displays and historical, chemical and physical property information.
- Calculates molecular weights, results of elemental analysis, amino acid composition, mass spectral frafmentation prediction, HPCL behavior prediction for polynucleotides, carbohydrates and many organic molecules composed of defined subunits. Complements GPMAW.
- Provides drill and practice to learn the names of elements and the location of elements on the periodic table. Includes three areas of concentration: names and symbols, position, and valence electron configurations, along with an on-line molecular weight calculator.
Physical Properties Estimates
- Calculates the optimized pH for stabilities, activities, rate constants or maximum enzyme velocities (Vmax), pKa and more.
- Estimate the physical properties for liquid hydrocarbons. Choose individual modules, or get the entine set. Choose from boiling point and freezing point estimation, based upon Joback's method; enthalpy and entropy of formation and heat capacity based upon Joback method; surface tension estimation based upon the Macleod-Sugden Equation; thermal conductivity estimation based upon the Sato-Riedel equation and the Joback method; vapor pressune, enthalpy of vaporization and entropy of vaporization estimation using the Joback method; viscosity estimation based on the Orrick and Erbar method.Boiling Points, Enthalpy of Formation, Surface tension, Thermal Conductivity Estimate, Total Package, Vapor Pressure, Viscosity
pH Titration Profile
- Automate gravimetric pipette calibration and record keeping from start to finish. Enter weights manually or from any RS-232 balance. Automatically perform calibrations, review past calibrations, schedule calibrations and reminders. Supports GLP and lSO.
- Optimize pH for stabilities, activities, rate constants or the Vmax of a compound. Calculate the end point on the inflection point.
QC Titration Calculator
- State-of-the-art program that manages laboratory chemicals invantory and assists with container labeling, regulatory database, purchasing, incident tracking, hazardous and waste disposal, MSDS management and employee safety monitoring. A bar code module is also available.
- Calculates the concentrations of surfactants, fats, oils, waxes and similar substances after titration using USP National Formulary (22nd Rev., 1990).
Qualitative Cation Detective
- Search for correlations between biological or chemical properties and physicochemical property variations produced by structural images in a series of cogeneric drugs.
- Identify 17 unknown metal ions based on the precipitation of insoluble chlorides, acid-insoluble sulfides, base-insoluble sulfides, insoluble carbonates and alkali metal ions.
Quartet Thermochemical Calculation & Simulation
- Turn your scanner into an densitometer. Accepts 4-bit and 8-bit TIFF files that can be displayed in gray scale or pseudo-color. Peaks can be located in manual tangential and automatic modes; x or y-axis integration smoothing, background subtraction. 2-D scanning and automatic molecular weight calculator.
- Calculate the properties of combustion or detonation in thermochemical equilibrium. Based on efficient algorithms that make calculations fast and accurate. Handles gaseous, liquid or solid initial reactive media. Includes ideal gas equations, high pressure media; calculates thermodynamic states.
- Computes chemical equilibrium for gases and solids. User definable chemicals, built-in editor. Balances reactions. Isothermal, adiabatic, constant P or V. Minimizes Gibbs free energy. Includes database of 90 species.
ResearchStation Plot + Transform
- Unites all your scientific information, applications and tools ay your desktop to help you to capture, organize, visualize and share information. Whether you work alone or in a group, ResearchStation automatically creates a record of all information and activities throughout the research process. Network versions available.
- Popular Spygrall analysis tools within the dynamic environment of MEGALON's new ResearchStation information management software. Read and analyze virtually any 2D data or image format, create raster images, line graphs, contours, surface or vector plots, with overlays; display line plots, color scatterplots, parametric plots and double-y plots, even very large datasets. Dialog-box intrf, matrix language for repeated tasks, customization capabilities, dynamically linked data and graphics.
- A new version of ConSystant and Chemeleon allows you to interconvert even more chemical data formats than ever! The 600 atom and bond limit has been deleted; several thousand atoms can now be stored. Supports all formats included in 2.0/2.01 as well as MDL's SD, Tripos' SLN and ChemPrint 2.0, Brookhaven PDB, and CSC ChemDraw for Windows.
Scienstist Chemical Kinetic Library
- Comprehensive yet easy-to-use chemometric analysis program with a wide range of state-of-the-art methods. Includes exploratory data analysis, classification, regression, (calibration), modern validation and diagnostic techniques, data preprocessing, and a large collection of graphics.
SciLogP for HyperChem
- Models for several types of reactions, including zero-order and second-order irreversible reactions, first-order reversible and parallel first-order irreversible reactions with up to three products. Fir pH-profiles, Arhenius equation, or Eyring equations. Requires SCIENTIST.
SciLogW for HyperChem
- HyperChem add-on that predicts the octanol/water partition coefficient, LogW, using regressional algorithms with built-in regression equations. Handles large 2D and 3D database of compounds, interactive display of results, analyzer for user-created regression formulas, an Excel translator and QSAR functionality.
SciPolymer for HyperChem
- HyperChem add-on that predicts the aqueous solubility, LogW, of organics using a regressional algorithm with built-in regression equations, a large 2D and 3D compound database, interactive display of results, an analyzer for user-created regression formulas, an Excel translator and QSAR functionality.
SciQSAR for HyperChem
- HyperChem add-on that predicts 17 polymer properties using a powerful regression approach and allows user defined parameter input, extensive database capability, a large built-in 2D and 3D monomer database for the design and alteration of polymers to achieve desired properties.
SIMCA dor Windows
- HyperChem add-on that performs regressional fitting of experimental data via 20 molecular descriptors. Includes user defined descriptors, an interactive graphical display, an analyzer to create formulas and determine valid parameters, automated data analysis, database functionality, an excel translator and 3D visualization.
SMARTLAB 2000 LIMS
- Use Principal Components Analysis and PLS techniques to classify data and to find key relationships between variables. Extensive graphics for visualization and powerful tools for predictive analysis and optimization of products and processes.
- Fast and automated sample log-in, repeat samples, "Run-Log" batching, status checking, ad-hoc review, QC and routine reports that are predefined and user customizable. Network capable.
- Simulate a wet lab experience. Choose from among 24 classification tests and 18 derivative forming reactions or record the physical data, look at the spectral analysis, IR or NMR spectra.
- Automatically calculates sample concentration, slope, correlation coefficient, charts and coefficient of determination.
- Perfect for introductory organic chemistry, this self-paced study guide allows students to explore topics related to the 3D nature of organic molecules. Featuring three modules with HyperCard , graphics and animation, the program clearly illustrates the confomiational changes in cyclohexane, the concept of chirality, and the relationship of configurational isomers to each other.
- Intuitive and easy-to-use equation balancing. Develop experiments, produce needed amounts correctly. Automatically calculates the percent element composition.
- Explore organic synthesis by entering a goal structure and mapping it against a transform database, searching for precursors which are one step removed from the goal. Includes drawing tools, C-C disconnect priority, short synthesis and pruning.
- An interactive chemical equilibrium solver designed for easy point-and-click use in Windows. The program comes with an extensive thermodynamic data library and supports six built-in applications.
Titration: The Acid-Base Titration Simulation
- Calculate the rate constant for a chemical reaction and activation energies using several rate constants and temperatures. Graphic results.
Vapor Pressure Estimates
- Time-saving simulation will improve a students' understanding of acid-base equilibria and titration method analysis. Using over 40 mono-, di-, tri-, and tetrafunctional acids and bases, simulate acid-base pH titration curves on-screen. Possible curve displays include simple pH v. volume curves, pH v. volume curve to which a mole fraction v. pH curve is appended, and a plot of dpH/dV v. volume. Additional acids or bases can be pulled from the auxilliary "Stockroom." Site license available.
Wet Chemical Tests
- Calculates the concentrations of surfactants, fats, oils, waxes and similar substances after titration using USO National Formulary (22nd Rev., 1990).
X-Ray Diffraction Calculator
- Perform the calculations for wet chemical tests on surfactants, fats, oils, waxes and similar substances based on titration of the sample to an endpoint.
- Calculate the interplanar distance, Bragg angle, cubic structure type, wavelengths of X-rays used and the llength of the unit cell edge of a compound.
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Sculpt & ChemBuilder3D
CS ChemDraw, CS ChemDraw3D, CS ChemFinder, CS ChemOffice
Κατάλογο εργαλείων προγραμματισμού σε Windows και για τον Web
Τον καλύτερο Κατάλογο 150+ Γεωτεχνικών-Περιβαλλοντικών προγραμμάτων που εισάγουμε αποκλειστικά!
Τελευταία Ενημέρωση 9 Νοεμβρίου 2005 - Last Revised on November 9th 2005