| Thermodynamic Modeling |
| The site is moved to http |
| http://gbelov.tripod.com |
| About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real gas properties, and computational thermodynamics. |
| |
| |
| height, background, social, position, images, repeat, important, window, search, margin, container, document, button, display, padding, jquery, tripod, category, decoration, section, function, documen telement, relative, sprite, onbutton, adbanner, animate, onsearch, onshare, setforcedparam, return, clientwidth, normal, clientheight, hidden, center, underline, family, helvetica, contain, replace, h osted, absolute, overflow, weight, member, pointer, cursor, searchlycos, 702438, reddit |
tripod.com - rank der domain 857 (45 in JP)
|
|
| zum Seitenanfang ↑ |
| CHEMKIN Collection Software |
| Byproducts of Combustion, Combustion Reactions @ Reaction Design - Chemical Kinetics and Rates of Reaction, Combustion Chemistry Emissions, Computational Fluid Dynamics Modeling, Chemistry Simulation Software |
| http://www.chemkin.com/ |
| Simulates complex chemical kinetics in reacting flow. |
| Byproducts of Combustion, Combustion Reactions @ Reaction Design. Providing Chemical Kinetics and Ra tes of Reaction, Combustion Chemistry Emissions, Computational Fluid Dynamics Modeling, Chemistry Si mulation Software. |
| Byproducts of Combustion, Combustion Reactions, Chemical Kinetics and Rates of Reaction, Combustion Chemistry Emissions, Computational Fluid Dynamics Modeling, Chemistry Simulation Software |
| reaction, design, combustion, chemistry, browser, javascript, correctly, operate, copyright, reactio ndesign, reserved, rights, webmaster, comments, redirected, privacy, policy, trademarks, because, co mputational, dynamics, modeling, software, simulation, emissions, reactions, byproducts, chemical, k inetics, location, replace, javascript, enable, reached, please, contact |
| (SLD : chemkin.com) |
|
| zum Seitenanfang ↑ |
| ADF |
| ADF: Density Functional Theory (DFT) software for chemists |
| http://www.scm.com |
| ADF, the Amsterdam Density Functional program for the treatment of complex chemical problems. |
| |
| |
| software, chemical, random, contact, documentation, program, display, density, functional, elements, chemists, programs, sichome, document, adf2009, problems, theory, interface, downloads, products, m olecules, graphical, solvents, support, periodic, 217ac3, excellent, environment, effects, proteins, applied, liquids, surfaces, reactivity, analysis, transition, structure, spectroscopy, excels, para llel, metals, automotive, properties, accurate, molecule, spectroscopic, relativistic, surface, stud ies, 232943, urchintracker |
scm.com - rank der domain 694906 (10858 in EU)
|
|
| zum Seitenanfang ↑ |
| Science/Chemistry/Software/Physical_and_Theoretical |
|
|
| Science/Chemistry/Software/Physical_and_Theoretical |
| zum Seitenanfang ↑ |
| MOLCAS |
| MOLCAS |
| http://www.teokem.lu.se/molcas/ |
| Program for an accurate ab initio treatment of very general electronic structure problems for molecu lar systems in both ground and excited states. Online manuals, billboard and patches for MOLCAS. |
| Molcas home |
| MOLCAS, MOLCAS 7, theoretical chemistry, chemistry, quantum chemistry, software, Molcas,
RASSCF, CA SPT2, DFT |
| molcas, decoration, helvetica, family, workshop, darkred, download, molcas, obtain, teokem, password , brazil, registration, organize, updates, solvent, methods, models, caspt2, molcas, rasscf, interfa ce, available, development, robust, accurate, support, source, licence |
lu.se - rank der domain 21807 (91 in SE)
|
|
| zum Seitenanfang ↑ |
| MOMix and ALP-Vibro |
| Redirect |
| http://www.chem.yorku.ca/grad/SG/momix.htm |
| Programs for Quantum Chemistry. MOMix (electron population analysis). ALP-vibro (animation of molecu lar vibrations). Spectrum Wizard. |
| |
| |
| please, location, redirect, webpage, changed |
yorku.ca - rank der domain 13421 (138 in CA)
|
|
| zum Seitenanfang ↑ |
| Jaguar |
| Schrödinger |
| http://www.schrodinger.com/Products/jaguar.html |
| A general purpose ab initio electronic structure package that is capable of computing variety of pro perties based on various uncorrelated and correlated wavefunctions. |
| Schrödinger is the scientific leader in developing state-of-the-art chemical simulation softwar e for use in pharmaceutical and biotechnology research. |
| |
| xgetelementbyid, ligand, modeling, section, dinger, document, structure, combiglide, modeling, disco very, docking, docking, protein, maestro, molecular, canvas, pharmacophore, fragment, desmond, paget racker, scoring, solvent, impact, viewer, explicit, macromodel, function, getelementbyid, display, s itemap, generation, simulations, generation, qikprop, cheminformatics, return, august, screening, ch emistry, protein, toggle, molecule, innerhtml, offsetheight, induced, extensions, classname, 2010go, design, molecular, mechanics |
schrodinger.com - rank der domain 987435 (388551 in US)
|
|
| zum Seitenanfang ↑ |
| WebMO |
| WebMO - Computational Chemistry on the WWW |
| http://www.webmo.net/ |
| Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for download; pro version also available. |
| |
| |
| computational, chemistry, features, browser, windows, access, software, interface, installed, featur es, output, variety, results, location, enterprise, support, structures, pagetracker, engine, enhanc ements, management, computer, allows, research, visualization, enough, commercial, available, single , document, install, monitoring, progress, server, accounts, presented, administrative, license, pro grams, importing, gajshost, completed, editor, script, firefox, convenience, beginners, benefit, fle xible, mozilla, advanced |
webmo.net - rank der domain 953801 (403022 in US)
|
|
| zum Seitenanfang ↑ |
| Zeta Potential |
| Zeta - a free (GPL) program for calculating zeta potential |
| http://zeta-potential.sourceforge.net/ |
| Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials. |
| Zeta can be used to calculate zeta potentials for ka |
| |
| calculating, potential, program |
sourceforge.net - rank der domain 156 (74 in US)
|
|
| zum Seitenanfang ↑ |
| Science/Chemistry/Software/Physical_and_Theoretical |
|
|
| Science/Chemistry/Software/Physical_and_Theoretical |
| zum Seitenanfang ↑ |
| Gamess |
| Gordon Group/GAMESS Homepage |
| http://www.msg.ameslab.gov/GAMESS/GAMESS.html |
| An ab initio quantum chemistry package GAMESS. Developed by the Mark Gordon research group at Iowa S tate University. Site is not GAMESS-Uk. |
| |
| |
| gamess, gordon, gamess, platforms, please, desktop, groups, google, manager, available, gamessq, blo gspot, jensen, research, history, version, simple, search, molecularmodelingbasics, especially, inde pendent, webmaster, instead, contact, webmaster, sendowner, problems, google, groups, discussion, pr ograms, desktops, exists, encounter, windows, general, avogadro, graphics, macmolplot, atomic, gener al, system, structure, molecular, electronic, tutorials, members, urchintracker, classical, 1163540, homepage |
ameslab.gov - rank der domain 464140 (185387 in US)
|
|
| zum Seitenanfang ↑ |
| YAeHMOP |
| |
| http://yaehmop.sourceforge.net/ |
| "Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions. Freely available in source form. |
| |
| |
| |
sourceforge.net - rank der domain 156 (74 in US)
|
|
| zum Seitenanfang ↑ |
| CONFLEX2000 |
| Conformational analysis, searching, & visualization. Small and large molecule conformers |
| http://www.conflex.us/ |
| Commercial conformational searching and analysis tools for Linux, Mac OS X, and Windows. Compatible w/CAChe, ChemOffice, and Amber. Screen shots, data sheet, ordering, and trial versions available. |
| CONFLEX conformational analysis and searching technologies mean fast, exhaustive, accurate results. Large molecule conformers, biocomputing, structure analysis, molecular mechanics, kinetics, computat ional and organic chemistry. |
| modeling and simulation,conformational analysis,fast conformational analysis,catalyst,confirm,confor mer,conformers,quick conformational analysis,molecular mechanics,conformational analysis techniques, biocomputing,large molecule conformers,structure analysis,cluster analysis,kinetics,computer chemist ry calculations,automated conformation searching and analysis,high quality conformation calculations ,global minimum structure searching,initial structure searching,new conformers discovery,computation al and organic chemistry,molecular mechanics,computational chemistry |
| conformers, conflex, searching, visualization, analysis, quality, barista, selection, researchers, b etter, during, develops, interface, process, licenses, discovery, corporation, provides, mmloadmenus , molecule, conformational, software, molecules, identifying, conformational, analyzing |
| (SLD : conflex.us) |
|
| zum Seitenanfang ↑ |
| CRYSTAL Home Page |
| CRYSTAL Home Page |
| http://www.crystal.unito.it/ |
| Unix program to compute the electronic structure of periodic systems within Hartree Fock, density fu nctional or various hybrid approximations. Documentation, licensing, and downloads available. |
| |
| |
| crystal |
unito.it - rank der domain 29116 (456 in IT)
|
|
| zum Seitenanfang ↑ |
| Extensible Computational Chemistry Environment |
| ECCE: Extensible Computational Chemistry Environment |
| http://ecce.emsl.pnl.gov/ |
| Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management frame work for setting up, submitting, and analyzing computational chemistry calculations. |
| The Extensible Computational Chemistry Environment (ECCE) is a computational chemistry problem-solvi ng suite composed of client/server UNIX based Graphical User Interface applications. |
| computational chemistry, software, ecce, unix, applications, molecular modeling, sun, sgi, computati onal modeling, object-oriented, data management |
| gaussian, interface, calculations, support, chemistry, computational, extensible, environment, movie s, online, systems, release, management, visualization, releases, graphical, workstations, contact, graphical, registration, properties, download, nwchem, include, supported, molecular, currently, mol ecular, mailing, windows, updated, virtual, application, software, written, extensive, results, outs ide, environment, distribution, machine, allows, ongoing, wxwidgets, toolkit, opengl, graphics, soft ware, developed, pacific, science |
pnl.gov - rank der domain 138640 (53672 in US)
|
|
| zum Seitenanfang ↑ |
| GaussSum |
| GaussSum: analyse ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS output files |
| http://gausssum.sourceforge.net/ |
| Collection of Python scripts which parse the output of Gaussian or GAMESS calculations to extract in formation such as the progress of the SCF cycles, geometry optimisation, UV-Vis/IR/Raman spectra, MO levels, and MO contributions. |
| |
| |
| gausssum, gamess, output, analyse, programs, gaussian, information, jaguar, informed, questions, gau sssum, mailing, releases, previous, hosted, fantastic, algorithms, implementing, computational, chem istry, resource, opensource, project, programmers, sourceforge, versions, another, problems, sourcef orge, program, interested, parsing, qmforge, functionality, similar, obtain, description, contributi ons, levels, spectra, screenshots, example, please, install, documentation, extract, center, applica tion, calculate, useful, cycles |
sourceforge.net - rank der domain 156 (74 in US)
|
|
| zum Seitenanfang ↑ |
| Environment-Dependent Interatomic Potential (EDIP) |
| The Environment-Dependent Interatomic Potential |
| http://www-math.mit.edu/~bazant/EDIP/ |
| Codes in C and Fortran by Martin Z. Bazant to model interatomic forces in covalent solids and liquid s which incorporates recent theoretical advances in understanding the environment-dependence of (sig ma) chemical bonding in condensed phases. |
| |
| |
| bazant, silicon, kaxiras, amorphous, interatomic, available, subroutines, dependent, subroutine, pot ential, environment, version, potential, following, written, optimized, liquid, crystal, phases, cov alent, forces, potentials, bonding, tested, calculation, temperature, fortran90, fortran, bernstein, translated, please, further, computation, description, original, energy, detailed, interface, energ ies, virial, program, solids, before, dynamics, incorporated, molecular, stacking, solids, growth, s tructures, epitaxial |
mit.edu - rank der domain 1198 (505 in US)
|
|
| zum Seitenanfang ↑ |
| AOMix |
| Software for Quantum Chemistry, Electron Population Analysis (Mulliken, Lowdin, CDA) |
| http://www.sg-chem.net/ |
| A program for molecular orbital analysis. It calculates the MO compositions of the constituent chemi cal fragments from the output files of various quantum-chemical packages, analyzes chemical bonding using overlap populations, and generates density-of-states spectra. License required. |
| Software for Quantum Chemistry, Molecular Orbital Analysis, Electron Population Analysis (Mulliken, Lowdin, CDA) |
| Software for Quantum Chemistry, Electron Population Analysis (Mulliken, Lowdin, CDA), Spectral convo lutions. |
| border, molecular, software, analysis, orbital, gaussian, fragment, calculations, sample, orbitals, population, overlap, background, gorelsky, lowdin, swizard, systems, radius, calculation, functions, fragments, indices, decomposition, address, padding, program, function, ottawa, matrix, please, con tact, center, chemistry, interaction, diagrams, setting, convolutions, output, parser, coulomb, manu pulation, coordinate, animation, initial, vibrational, exchange, integrals, electronic, formatting, spectral, hyperchem |
| (SLD : sg-chem.net) |
|
| zum Seitenanfang ↑ |
| WinMopac |
| PSU - WinMopac Home Page - Software for researches |
| http://www.psu.ru/science/soft/winmopac/index_e.html |
| Free graphical version of MOPAC 7 for windows, with an integrated molecular viewer (RasWin). Used fo r semiempirical molecular orbital calculations with the MNDO, AM1, and PM3 methods. |
| WinMopac7.21 is a powerful tool for semi empirical calculations of chemical molecules. This program has unified old DOS version MOPAC7 with some improvements which we have made and a convenient window s interface, and an integrated external molecular viewer(RasWin). The Windows interface includes all editing functions, a setting menu and some other features... |
| WinMopac, Mopac, RasWin, MNDO, MINDO/3, semi, empirical, calculations, free, chemistry |
| program, software, winmopac7, raswin, winmopac, download, molecular, babelwin, winmopac, distribute, internal, provided, please, package, contact, compilation, included, format, chemfolder, modified, therefore, sources, mikhail, viewer, obtained, calculations, interface, version, warrant, second, su ggestion, suggestions, directly, indirect, incidental, damages, arising, special, consequential, upd ates, liable, delivery, downloadable, raswin, though, performance, written, structures, viewed, savi ng, drawing |
psu.ru - rank der domain 178755 (6734 in RU)
|
|
| zum Seitenanfang ↑ |
| Moloc |
| Home |
| http://www.moloc.ch/ |
| Molecular Design Software Suite for Irix, Linux, and Windows. Includes features such as structure ge neration, molecular mechanics, conformational search, molecular dynamics, and similarity analysis. F ree for academic users. |
| |
| |
| similarity, programs, modeling, peptide, interfaces, installation, support, display, dynamics, diver sity, pharmacophore, prices, update, building, platforms, policy, mutation, numerous, companion, sma ller, improvments, detailed, interactive, natural, utility, protein, software, design, fields, molec ule, molecular, fields, conformation, proteins, gerbermoleculardesign, matching, utilities, trajecto ry, models, generation, evaluation, facilities, analysis, mining, conformational, analysis, concepts , database, features |
| (SLD : moloc.ch) |
|
| zum Seitenanfang ↑ |
| CASTEP - CAmbridge Serial Total Energy Package |
| CASTEP |
| http://www.tcm.phy.cam.ac.uk/castep/ |
| Uses density functional theory to provide an atomic-level description of materials and molecules. |
| CASTEP homepage |
| |
| castep, materials, studio, density, functional, accelrys, calculations, available, various, academic , better, windows, version, theory, frontend, graphical, ported, original, probert, development, ato mic, platforms, structure, performance, extensive, within, features, members, created, academics, sp ectra, perform, working, homepage, electronic, provides, number, through, tutorials, written, visual ising, output, development, setting, analysing, ground, theory, segall, process, research, history |
| (SLD : ac.uk) |
|
| zum Seitenanfang ↑ |
| Zori |
| Home - Zori: a quantum Monte Carlo program |
| http://www.zori-code.com/ |
| Open source quantum chemistry program for atoms and molecules using the quantum Monte Carlo method. |
| ,Zori - quantum Monte Carlo package for performing electronic structure calculations. |
| ,Zori, quantum Monte Carlo, electronic structure, open source, ab initio, diffusion Monte Carlo, var iational monte carlo |
| downloads, program, website, quantum, updated, tomato, tuesday, moment, authorized, developers, zori wiki, navigate, current, version, forgotten, rights, reserved, international, license, released, sof tware, password, password, remember, account, copyright, syndicate, create, username, forums, compil ation, instructions, search, contact, running, latest, downloadwelcome, availalbe, source, report, r eports, source, manual, instructions, examples, compilation, manualreporting, computational, chemist ry, journal, accepted |
| (SLD : zori-code.com) |
|
| zum Seitenanfang ↑ |
| SHB_interactions |
| SHB Interactions |
| http://gw-chimie.math.unibuc.ro/staff/cbendic/shb/shb_interactions.html |
| Free program based on Extended Hückel calculations and Mulliken overlap populations for measuring th e strength of hydrogen bonds and other intermolecular interactions in drug-biopolimer complexes. |
| |
| |
| interactions, bucharest, program, chemistry, identify, especially, conceived, biopolimers, extended, intermolecular, analyze, faculty, university, physical, department, interactions, bendic, elisabeta , chimie, unibuc, cbendic, romania |
unibuc.ro - rank der domain 101369 (362 in RO)
|
|
| zum Seitenanfang ↑ |
| Atoms in Molecules (AIM2000) |
| AIM2000 |
| http://www.aim2000.de |
| Windows program for analyzing and visualizing molecules using the theory of Richard Bader. Demo vers ion available. |
| A program to analyse the properties of atomes in molecules by the theory of R. Bader |
| aim2000, aimpac, atom, molecule, bader, chemical analysis, theoretical chemistry, chemical simulatio n, Atoms in molecules, Atomic basins, Interatomic surfaces, Average Properties, Molecular Topology |
| aim2000, password, program, aim2000, molecules, customer, version, improvement, general, extended, r emoved, existing, opening, problems, system, included, periodic, crashed, ubuntu, changes, calculati ons, windows, developed, application, running, showed, stability, before, debian, selfmade, referenc es, theory, visualize, analyse, description, tutorial, impressum, software, informations, serial, pr otected, number, installation, afterwards, download, bugfix, questions, forward, available, january, bought |
| (SLD : aim2000.de) |
|
| zum Seitenanfang ↑ |
| CHEMKED |
| CHEMKED - Chemical Kinetics - Gas Phase Chemical Reactions - Thermodynamics - Databases – Simulation – Analysis |
| http://mark.jelezniak.de/Chemked/ |
| Chemical kinetics of gas phase reactions. Databases, simulation, and analysis software for Windows. Demo version available. |
| CHEMKED - Chemical Kinetics of Gas Phase Reactions - Databases and Simulation |
| Jelezniak, Chemked, thermodynamic, reaction, database, chemical, kinetics, chemical kinetics, atmosp heric, chemistry, air pollution, combustion, waste, gas |
| chemked, reaction, chemical, chemistry, program, problems, thermodynamic, kinetics, chemkin, chemica l, reactions, information, databases, simulation, mechanism, analysis, results, kinetics, consists, jelezniak, mechanism, reaction, complex, search, databases, thermodynamic, subroutines, applications , heated, created, jelezniak, dynamics, builds, reactor, format, properties, urchintracker, 537094, grimech, incorporate, methan, methane, screenshots, sample, oxidation, problems, hydrogen, submit, d irectly, editing, forming |
| (SLD : jelezniak.de) |
|
| zum Seitenanfang ↑ |
| Banned By Gaussian |
| Banned By Gaussian |
| http://www.bannedbygaussian.org/ |
| Site critical of Gaussian, Inc.'s licensing practices. Reports allegations of Gaussian banning "comp etitors" from using their product. |
| |
| Gaussian,Hartree,Fock,DFT,Density Functional,Coupled Cluster,Moller-Plesset,Perturbation,MP2,MP3,MP4 ,CCSD,CCSD(T),CI,Full CI,Theoretical Chemistry,Computation Chemistry,Quantum Chemistry,bad science,s cience without scrupples |
| gaussian, university, program, banning, scientific, northwestern, banned, science, georgia, computer , banned, institution, florida, papers, computational, molecular, versions, specific, research, late st, colleagues, timing, michigan, bannedbygaussian, individuals, software, common, enable, different , community, inform, performance, announce, extreme, gordon, licensee, associated, chemistry, buffal o, professor, project, available, subsequent, center, technology, columbia, institute, california, i ncreasingly, carolina, results |
| (SLD : bannedbygaussian.org) |
|
| zum Seitenanfang ↑ |
| ORCA |
| Download area |
| http://ewww.mpi-muelheim.mpg.de/bac/logins/downloads_en.php |
| Ab initio, DFT and semiempirical SCF-MO package, with specific emphasis on spectroscopic properties of open-shell molecules. Free binaries for academic users are available for a variety of platforms. |
| After a registration, downloads avalaible |
| |
| return, program, methods, quantum, package, semiempirical, initio, variety, chemists, function, depa rtment, molecular, magnetic, computational, helpful, physicists, chemical, interested, features, bio logists, standard, considered, februar, effects, relativistic, environmental, monthlong, correlated, friendly, developing, ranging, januar, content, switch, getdateword, dateobj, getdates, default, ex perimental, information, version, calculations, academic, coupled, systems, samples, frozen, solutio ns, multiplicities, changed, webpage |
mpg.de - rank der domain 18430 (925 in DE)
|
|
| zum Seitenanfang ↑ |
| MPQC |
| MPQC Home |
| http://www.mpqc.org/ |
| The "Massively Parallel Quantum Chemistry Program". Computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. Free, available under the GPL. |
| The Massively Parallel Quantum Chemistry Program Home Page |
| MPQC, HF, Hartree-Fock theory, SCF, self-consistent field theory, MP2 |
| chemistry, quantum, parallel, discussing, theory, energies, perturbation, massively, available, seco nd, interfaces, parallel, gradients, molecules, mpqcan, article, article, common, architecture, publ ished, computing, background, chemistry, quantum, illustrate, plesset, 248ller, closed, coordinate, internal, family, program, closed, restricted, general, unrestricted, component, oriented, independe nt, equation, programming, principles, subversion, properties, computes, mpqcthe, workstations, indi vidual, architectures, ranging, averaged |
| (SLD : mpqc.org) |
|
| zum Seitenanfang ↑ |
| Motofit |
| Main Page - Motofit |
| http://motofit.sourceforge.net |
| Co-refines Neutron and X-ray reflectometry data, using Parratt recursion and least squares fitting. It works in the IGOR Pro environment (TM Wavemetrics). |
| |
| Main Page,Abeles,Benchmarking fitting programs,Frequently asked questions,Genetic Curvefitting for I GOR PRO,Least squares,Other Reflectometry Programs,Other scattering resources,Publications,Screensho ts |
| motofit, abeles, scattering, version, install, gencurvefit, package, download, multiple, fitting, av ailable, please, plugin, manual, reflectivity, shortcut, contrast, reflectometry, resources, neutron , website, genetic, questions, analyse, publication, download, install, software, folder, refinement , window, fitting, datasets, directory, length, penetration, solvent, runonloadhook, graphs, quality , graphical, defined, wavemetrics, layers, density, imaginary, estimation, changes, effects, thickne sses, recommended |
sourceforge.net - rank der domain 156 (74 in US)
|
|
| zum Seitenanfang ↑ |
| PyQuante |
| PyQuante: Python Quantum Chemistry — PyQuante v1.6.3 documentation |
| http://pyquante.sourceforge.net/ |
| "Python Quantum Chemistry" - an open-source suite of programs for developing quantum chemistry metho ds. Emphasis is on simplicity, rather than speed, but some bottlenecks are written in C. |
| |
| |
| pyquante, molecule, functions, calculation, electron, energy, integrals, 00000000, output, import, p ython, calculations, module, method, molecule, python, object, solver, iterate, function, example, a ngstrom, should, modules, getbasis, configure, pyquante, install, matrix, program, following, charge , simple, documentation, hartree, specify, multiplicity, without, repulsion, cookbook, information, version, access, license, atomic, stream, logging, muller, copyright, return, perform |
sourceforge.net - rank der domain 156 (74 in US)
|
|
| zum Seitenanfang ↑ |
| CHEAQS |
| Homepage CHEAQS Pro |
| http://home.telfort.nl/cheaqs/ |
| Windows program for calculating chemical equilibria, and solving speciation problems in aqueous syst ems. Includes database of equilibrium constants, publications list, terms, and free download from th e Netherlands. |
| |
| CHEAQS Pro,chemical speciation, chemical equilibria, chemical equilibrium, chemical equilibrium mode l, equilibrium modeling, equilibrium modelling, computer program, software, database, equilibrium co nstants,Wilko Verweij,WHAM, Model V |
| cheaqs, concentration, author, calculate, copper, complexation, database, twitter, concentrations, p rogram, design, tables, graphs, questions, output, should, decrease, calibrate, constants, factor, q uestion, intrinsic, titrate, conditional, reference, happens, literature, homepage, species, equilib rium, activity, example, samples, system, requirements, conditions, verweij, follow, written, contac t, source, gratis, teller, papab30, available, interactively, special, further, output, decide, regi ster |
telfort.nl - rank der domain 23552 (288 in NL)
|
|
| zum Seitenanfang ↑ |
| Argus Lab |
| ArgusLab Molecular Modeling and Drug Docking Software |
| http://www.arguslab.com/ |
| Molecular modeling program for Windows9x operating systems with 3D-builder, ab initio calculation mo dules, and simple molecular mechanics. Includes version history, citations, and contacts in Seattle, Washington. |
| |
| |
| arguslab, software, planaria, company, thompson, docking, screen, tutorials, chemistry, arguslab, ci tations, computational, testimonials, molecular, information, copyright, contact, educators, downloa ds, modeling, downloads, growing, licensed, design, program, freely, please, molecular, modeling, gr aphics, publications, citation, seattle |
| (SLD : arguslab.com) |
|
| zum Seitenanfang ↑ |
| Chemical Kinetics Simulator Software |
| IBM Research | Almaden Research Center | Chemical Kinetics Simulation |
| http://www.almaden.ibm.com/st/computational_science/ck/ |
| Interactive method for modeling the reaction simulation in inorganic and polymeric thin films. Inclu des history, package contents, FAQ, publications, user feedback, and download from IBM's Almaden Res earch Center in San Jose, California. |
| IBM Almaden Research Center | Chemical Kinetics Simulation Home |
| IBM Research Almaden Chemical Kinetics Simulation Home Disciplines Cross-Disciplines Science Univers ities University edu Physics Math Mathematics Mathematical Sciences Computer Chemistry Materials Ele ctrical Engineering Deep Computing Semiconductor Storage Systems VLSI Design Displays Software Hardw are Network Technology autonomic computing |
| |
ibm.com - rank der domain 508 (82 in CN)
|
|
| zum Seitenanfang ↑ |
| ChemRate CPS |
| Gaussian |
| http://www.chemrate.com |
| Allows the calculation of an Arrhenuis factor and a rate constant of chemical reactions with great a ccuracy. |
| |
| |
| gaussian |
| (SLD : chemrate.com) |
|
| zum Seitenanfang ↑ |
|
