Chemissian.v4.01.Cracked-EAT

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.