Graphing Atom Orbital Calculator Program
Summary Molecular orbitals editor allows building, analyzing and graphical editing of molecular/Kohn-Sham orbitals diagrams from the results of quantum-chemical calculations Usage Open the output file produced by popular quantum-chemical calculation programs (USGamess, PCGamess, Gaussian, Q-Chem, Spartan) containing molecular orbitals data: Click File-Open menu and select the file containing molecular orbitals data Note to the Gaussian users: type #P pop=full GFInput in Gaussian input files. #P option enables extended printout, pop=full enables printout of all molecular orbitals coefficients needed to calculate density and GFInput option enables printout of basis set data (description of primitives in basis set You will see the molecular orbitals energy levels diagram, you can - click menu File-Add New Diagram and select more files Analysis/Graphical editing of molecular orbitals: To select custom energy range for your diagram use the menu View-Select energy range. Also use the menu items Edit-Zoom In, Edit- Zoom out or Edit- Show All Another way is to place the mouse to the energy axis then press left button and holding it move up or move down to select the range: In select a tool for analysis/editing, e.g. By selecting and clicking on the molecular orbital energy level of interest you will see in decomposition of the selected molecular orbital into atomic orbitals, Use to examine the contributions only from atomic orbitals of interest; see also,; Graphic design of molecular orbitals diagrams Use tools from (, ) for graphical editing the molecular orbitals diagram. To edit the diagram Title and Foot text double-click it with a mouse left button and start edit text. If the title (foot) is invisible then you may enable it MO options window (click Edit - MO diagram options menu).
I used to be familiar with the various choices out there for orbital mechanics simulation software. Kerbal Space Program. Useful for learning orbital. Graphing Atom Orbital Calculator Program Java. Electron configuration calculator. This program determines the information shown below. Radial Wavefunctions and Radial.
You can use the wide range of font styles using the Format panel (like you do it in the most rich-text processors): To use it select some text fragment and select in the Format panel the needed style; Note Use the menu item Edit - Undo/Redo (or shortcut Ctrl+Z/Ctrl+Y) to undo/redo the actions. Diagram options You can customize many display parameters of a molecular orbitals diagram e.g. Color, size of MO level; distances between individual diagrams (diagrams corresponding to individual MOs data); background color etc.
Ti 84 Graphing Calculator Programs
To use it click the Edit - MO diagram options menu and in the appeared window set the options: Document Save/Export After working with document you may choose to:. Save it to continue edit it in the future, e-mail it to your colleagues etc. Select File-Save As. Menu then in the file filter select 'Chemissian document file (.orbs)', specify the file name and click Save button.
Save the document as a picture - in the file filter select raster.bmp format or vector.emf format; in this case you will not be able to edit the document with Chemissian in the future;. Vector format is preferable because it can be made any size without losing its quality and becoming pixelated. Copy the document as a picture to clipboard and paste it into another editor (e.g. Word where you are preparing your publication): Select File-Copy image to clipboard menu or use Ctrl+B shortcut. Games bounce out blitz.