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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zerodayz
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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.......: https://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 https://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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