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Chemissian.v4.01.Cracked-EAT
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Applications > Windows
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6.71 MiB (7031217 Bytes)
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2014-03-11 14:33:13 GMT
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Info Hash:
8D121D24115A03A02ED64E9180ECDCEA1F28D76B




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                         Chemissian.v4.01.Cracked-EAT
°ÛÛ    ±  SUPPLIER ....: TEAM EAT                                       ±    ÛÛ°
ÞÛÝ    ±  PROG TYPE ...: SCIENTIFIC                                     ±    ÞÛÝ
ÛÛ     °  LANGUAGE ....: ENGLISH                                        °     ÛÛ
ÛÝ        RELEASE DATE.: 2014-02-27                                           ÞÛ
Û      °                                                                °      Û
Û     °   CRACKER ......: TEAM EAT                                       °     Û
Û         PROTECTION ...: DEMO-LIMITS                                          Û
Û         DIFFICULTY ...: GUESS!                                               Û
Û                                                                              Û
Û         PACKAGER ....: TEAM EAT                                              Û
Û         FORMAT ......: ZIP/RAR                                               Û
Û         ARCHIVE NAME.: eatch401.zip                                          Û
Û         No OF DISKS .: [XX/02]                                               Û
Û                                                                              Û
Û         REQUIREMENTS .: WinXP/Vista/Win7/Win8                                Û
Û         PRICE ........: $149.00                                              Û
Û         WEBSITE.......: http://www.chemissian.com                            

ÞÛ
Û             Chemissian is an analyzing tool of molecules                     Û
Û             electronic structure and spectra. It can manipulate              Û
Û             molecular orbital energy-level diagrams                          Û
Û             (Hartree-Fock and Kohn-Sham orbitals), calculated                Û
Û             and experimental UV-VIS electronic spectra,                      Û
Û             electronic/spin density maps and prepare them for                Û
Û             publication. Chemissian has a user-friendly                      Û
Û             graphical interface and lets you examine and                     Û
Û             visualize data from the output of Gaussian,                      Û
Û             US-Gamess, Firefly/PC-Gamess quantum chemical                    Û
Û             program packages. Chemissian tools helps you to                  Û
Û             investigate nature of transitions in UV-vis spectra,             Û
Û             bonding nature, etc.                                             Û
Û                                                                              Û
Û             Chemissian Features:                                             Û
Û                                                                              Û
Û             * Build Molecular Orbitals energy level diagrams                 Û
Û             Due to the integrated graphical editor it is easy to             Û
Û             add text labels to the diagrams, make connector                  Û
Û             lines between MO energy levels, text labels, occupy              Û
Û             the energy levels with the electrons.                            Û
Û             You can analyze the electronic structure of                      Û
Û             molecules: you can move between energy levels simply             Û
Û             using the keyboard cursor buttons and in a useful                Û
Û             way obtain information about contributions to the                Û
Û             current molecular orbital from atoms or molecular                Û
Û             fragments and present the data in the most useful                Û
Û             and demonstrative way: on the contribution diagram               Û
Û             or directly on the MOs themselves.                               Û
Û                                                                              Û
Û             * Build, visualize and interpret UV-Visible Spectra              Û
Û               from Gamess, Firefly and Gaussian outputs                      Û
Û             Chemissian with its exciting and unsurpassed                     Û
Û             graphical analyzer of properties and composition of              Û
Û             MOs, has the wide range of capabilities for analysis             Û
Û             of electronic spectra of molecules. Chemissian offer             Û
Û             tools for building electronic UV/VIS spectra                     Û
Û             directly from quantum-chemical data from GAMESS,                 Û
Û             Firefly(PC-GAMESS) or GAUSSIAN output files.                     Û
Û                                                                              Û
Û             * Analyze electronic density distribution                        Û
Û             Using Chemissian you can analyze electronic and spin             Û
Û             density distribution, difference (also called                    Û
Û             "defomation") density, individual molecular orbital,             Û
Û             and arbitrary linear combination of them (e.g. for               Û
Û             plotting Fukui functions).                                       Û
Û             Chemissian can build the distributions as                        Û
Û             two-dimensional contour maps or build distribution               Û
Û             along the given line (one-dimensional). To build                 Û
Û             densities only standart gamess/Firefly/gaussian                  Û
Û             output file is used, e.g. no cube-files are needed.              Û
Û                                                                              Û
Û             * Calculate populations and valences                             Û
Û             Chemissian can calculate Mulliken and Simple                     Û
Û             populations of AOs, Shells, "Spherical Harmonics",               Û
Û             Atoms or molecular fragments (any group of atoms).               Û
Û             Also you can choose to calculate valences of AOs,                Û
Û             Shells,"Spherical Harmonics", Atoms and fragments.               Û
Û             Analyze molecular orbital composition - calculate                Û
Û             contributions from atomic orbitals, atoms, molecular             Û
Û             fragments, shells, etc. to the MOs.                              Û
Û                                                                              Û
Û             * Calculate quantum-chemical bond order indexes and              Û
Û               overlap populations                                            Û
Û             Use Chemissian to investigate bonding nature in the              Û
Û             molecules - calculate quantum-chemical bond order                Û
Û             indexes and overlap populations for every bond in                Û
Û             molecule. You can also analyze "generalized bond,                Û
Û             e.g. "bond" between molecular fragments.                         Û
Û                                                                              Û
Û             * Work with several calculations at the same time                Û
Û             In a single document accumulate and analyze results              Û
Û             of several calculations, e.g. load several                       Û
Û             GAMESS/Firefly/Gaussian ouput files. Simple example:             Û
Û             having you the source reagents and the final                     Û
Û             reaction product you want to understand the changes              Û
Û             that have occurred on the electronic structure level             Û
Û             - you may add several calculations (reagent and                  Û
Û             product) at the same diagram, and they will be                   Û
Û             presented in the common energy scale, you can switch             Û
Û             between different calculations, compare and analyze              Û
Û             electronic structures all the participants at the                Û
Û             same time.                                                       Û
Û                                                                              Û
Û             * Save the results in a single file                              Û
Û             Save the obtained document in a special file format,             Û
Û             which allows to keep all data in a single compressed             Û
Û             file (uncompressed wave function takes up a lot of               Û
Û             disk space!); at any time you will be able to open               Û
Û             and continue working with the saved document,                    Û
Û             analyze, edit the data, send it to your colleagues.              Û
Û                                                                              Û
Û             What's new in this version?                                      Û
Û             http://www.chemissian.com/news                                   Û

           Ü   Do NOT distribute this release outside of the scene   Ü
          Ü             Keep the scene alive and secure!              Ü
         Ü                                                             Ü
                       All good progs start as freeware,
                         then things get worse ... ;-)²
Û             2. Copy the included file to the installed folder.               Û
Û                                                                              Û
Û             That's all. Have fun using it! ;-)                               Û
Û                                                                              Û
Û      ___________________________________________________________________     Û
Û                                                                              Û
Û      Always remember to block applications (or go off line) from calling     Û
Û      home 'during install'. Once installed, disable 'check for automatic     Û
Û      updates' option if available, so that you don't get it blacklisted. 

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