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INDEX CHEMICAL 1.0) Introduction 2 1.1) Starting Chemical 2 1.2) Viewing Files 2 1.3) Setup Command 3 1.4) Move Command 3 1.5) Group Command 3 1.6) File Command 3 1.7) Using a Mouse 3 1.8) Printing 3 1.9) Examples 4 2.1) Covalent Bonding 4 2.2) s Atomic Orbitals 4 2.3) p Atomic Orbitals 5 2.4) d Atomic Orbitals 5 2.5) Molecular Orbitals 6 2.6) Bonding 6 2.7) Size of Atoms 6 2.8) Ions 6 2.9) Electronegativity 6 2.10) sp, sp2, and sp3 Hybrids 7 2.11) Flat Ring Structures 7 2.12) sp3 Rings 7 2.13) d2sp3 Hybrid 7 2.14) W and R commands 7 2.15) Data File Structure 8 CHEMVIEW 3.1) Starting Chemview 8 3.2) Commands 8 CRYSTAL 4.1) Starting Crystal 9 4.2) Examples 9 4.3) Editor and Help File 9 4.4) Ionic Crystals 9 4.5) Cubic Cell 9 4.6) Lattice Cells 10 4.7) Placement of Atoms 10 4.8) Atom Scale and Color 10 APPENDIX A) Commands for CHEMICAL 10 B) Commands for CRYSTAL 12 C) Editor for CRYSTAL 13 D) Mouse Drivers 14 CHEMICAL, CHEMVIEW, and CRYSTAL are public domain programs and may be freely copied and distributed. The latest version with source code is available from the author for $20 ($10 for registered users). The source code is not for public distribution. Larry Puhl 6 Plum Court Sleepy Hollow, Ill. 60118 1.0) Introduction : CHEMICAL is a molecular modeling program to aid in the formation of three dimensional pictures of chemicals. Atoms are selected from a Periodic Table (using the A command) and electron orbital information retrieved. The Atoms are then bonded (using the B command). The chemical is displayed as it is being constructed. The chemical can be viewed from different directions by using the up and down cursor keys and the V command. If desired, the Hybrid and Ionize commands can be used to alter the orbitals before bonding. Atoms can be bonded into groups, then the groups bonded to other groups to make large chemicals. CHEMICAL requires 640K bytes of RAM and a CGA or EGA monitor. You may need to eliminate RAM resident programs to run this program. CHEMICAL is written in Turbo PROLOG Ver. 2.0. CRYSTAL is used to build crystal structures. English commands are used to describe the structure. The easiest way to build a new structure is to start with a similar structure. The necessary changes can then be made using the built in editor. CRYSTAL requires an EGA monitor. CRYSTAL is written is Turbo PROLOG Ver. 2.0, PROLOG Toolbox, and Turbo C. CHEMVIEW is a companion program that shows 3-dimensional animation of the models generated with CHEMICAL. CHEMVIEW requires an EGA board and monitor. CHEMVIEW is written in Turbo PROLOG Ver. 2.0 with the graphics routines written in Turbo C. To use CHEMVIEW simply start the program and select the file desired. 1.1) Starting CHEMICAL Start CHEMICAL by entering CHEM at the DOS system prompt. The highlighted selection is the highest available graphics mode. Use the CR key to select this mode. When using a CGA monitor the system program GRAPHABL.COM should be run prior to starting CHEMICAL. Other graphics modes are selected by using the cursor keys. Modes with 16 colors use color to distinguish between different types of atoms. Modes with less than 16 colors label the atoms. 1.2) Viewing Files Select the FR command by entering the letters F and R. Or use the cursor and CR keys to select the File command, then Read sub-command. Select on of the files listed using the cursor and CR keys. The screen will then change to graphics mode and show the selected molecule. The molecule can be viewed from any of six directions. The view shown is indicated along the right of the screen each time a new view is shown (in CGA 320x200 mode the view is shown at the top). The view direction can be changed by using the up/down cursor keys. The new view is not shown until a (V)iew command is issued. Files read with the FR command return to the view active when the file was written. 1.3) Setup Commands The Setup commands turns display options on and off. The options include Bond Lines, Color Scale, Expanded View, Grid, and atom numbering. When a file is read, using the FR command, the setup status is set to the state that existed when the file was written. See Appendix A for a more complete description of the setup commands. 1.4) Move Commands The Move commands are used to modify the color, rotation, or position of atoms. For example the MX, MY, and MZ commands rotate a molecule a specified number of degrees around the coresponding axis. These commands change the coordinates of each atom, but do not change the view direction. The MS command is used to rotate around the axis between two atoms. The MA command is used to manually move an atom or group. See Appendix A for a list of the move commands. 1.5) Group Command Each data file contains the information for a group of atoms. The group command is used to combine files into a larger chemical. One atom from a new group is selected to be attached to an atom of another group. The new group can be placed in front, back, right, left, top, or bottom of another group. The new group can be rotated before it is attached. 1.6) File Command The file command is used to read/write chemical files via the FR and FW commands. The FH and FT commands show help and tutorial files. The FB commands shows the data file for the chemical currently being built. The FM command minimizes the size of a file by deleting unused orbitals. Once this is done, no additional bonds can be made. The FS command returns to the DOS operating system. Return to CHEMICAL by entering EXIT. The FA commands calls CHEMVIEW. 1.7) Using a Mouse A mouse can be used to control CHEMICAL by loading a mouse driver that programs the mouse to simulate key depressions. A three button mouse should be set up so that the buttons simulate the CR, esc, and Space keys. Movement of the mouse should simulate cursor keys. The mouse driver must be loaded before CHEMICAL is started. See Appendix D for details. 1.8) Printing Printouts can be made using a graphics package such as Doctor Halo III. These packages provide a screen capture option. The screen capture driver must be loaded before CHEMICAL is started. In the CGA mode printouts can be made if the GRAPHICS command is loaded before CHEMICAL is started. Then pushing the PrtSc button on the keyboard will print the screen. 1.9) Examples Example 1: Make Water Molecule 1) Use the A command to show periodic table. 2) Select O,H, and H using the cursor keys and Enter Key. 3) Use esc to exit A command. 4) Select the Bond Command. 5) Select O and H . 6) Select shared (default) bond. 7) Select one of the O-H bonds. 8) Use the Bond Command to make the other O-H bond. The O and the unused H must be selected. Example 2: Benzene C6H6 1) Clear previous entries with (C)lear. 2) Enter 6 Carbon Atoms using (A)tom. 3) Select the sp2 hybrid for each Carbon Atom using (H)ybrid command. 4) Use the Up/Down cursor key to set view to TOP. 5) Bond Atoms 1-2, 2-3, 3-4, 4-5, 5-6, 1-6 (highlighted bond). 6) Make a pi bond between atoms 1-2, 3-4, and 5-6 using (B)ond. 7) Enter 6 Hydrogen Atoms using (A)tom. 8) Bond each hydrogen atom to a carbon atom. Example 3) [Co(NH3)6]3+ Coordination Compound 1) Select Co and six N atoms. 2) Select the +3 ionization and d2sp3 Hybridization of Co using the ionize and the Hybrid commands. 3) Select the sp3 Hybrization of N using the Hybrid command. 4) Bond the six d2sp3 orbitals on Co to the six N atoms. Use the Dative Bond. 5) Select 18 hydrogen atoms. 6) bond the hydrogen atoms to the six nitrogen atoms 2.1) CHEMICAL - Covalent Bonding Electrons tend to occupy certain locations around the nucleus of an atom. These locations are classified into Atom Orbital types based on their directional characteristics. The Atomic Orbitals involved in covalent chemical bonding are called the s, p, and d Atomic Orbitals. 2.2) s Atomic Orbital The s Atomic Orbital has no directional preference. The s Atomic Orbital closest to the nucleus is labeled 1s. The 1s Atomic Orbital is the lowest energy orbital. Electrons fill the lowest energy orbitals first. Hydrogen has only one electron, which occupies the 1s orbital, since this is the lowest energy orbital possible. To demonstrate filling the 1s orbitals select the first four atoms from the periodic table using the A command. The atoms are selected by using the cursor keys to highlight the desired atom, then depressing the ENTER key. Then exit the atom selection mode by depressing the ESC key. Next select the Bond command. The following list should be displayed: 1 H 1s1, 2 He 1s2, 3 Li 2s1, 4 Be 2s2, The left number indexes the atom selected. Next is the symbol for the element selected. The next sequence of symbols gives the orbital name followed by the number of electrons in that orbital. Only the orbitals involved in chemical reactions are shown. Electrons tend to fill the lowest energy orbitals first. Therefore, the 1s orbital is filled before the 2s orbital. 2.3) p Atomic Orbital There are three p atomic orbitals: p(x), p(y), and p(z). Each of these is dumbbell shaped, and extends along the axis indicted in brackets. The first p atomic orbital is 2p and is higher in energy than the 2s orbital. This can be demonstrated by listing the following atoms (clear the screen using the C command first): 1 B 2s2,2p(x)1, 2 C 2s2,2p(x)1,2p(y)1, 3 N 2s2,2p(x)1,2p(y)1, 2p(z)1 4 O 2s2,2p(x)2,2p(y)1, 2p(z)1 5 F 2s2,2p(x)2,2p(y)2, 2p(z)1 6 Ne 2s2,2p(x)2,2p(y)2, 2p(z)2 Notice that all the p atomic orbitals are filled with one electron before two electrons can occupy any orbital. The directional characteristics of the p orbital can be demonstrated by bonding hydrogen (H) to each of the three orbitals of nitrogen (N). Clear the screen, then select one N and three H atoms. THen use the Bond command. First select N by using the cursor keys, then push the Enter key. Select H the same way. Three bonds type choices are then given. Select the default bond type by pushing the enter key (The default selection is the one that is highlighted when the window is first opened). A new window will then give the bond choices. Notice each N orbital placed the H atom in a different direction. 2.4) d Atomic Orbitals The d atomic orbital has five directional types. The names for these orbitals are: d(xy), d(yz), d(xz), d(x2 - y2), and d(x2). The names correspond to the directional characteristics of each orbital. CHEMICAL uses the symbols ',`,^,~, and " to distinguish between the five d atomic orbitals. 2.5) Molecular Orbitals Atomic Orbitals from two atoms can combine to form Molecular Orbitals, the electrons shared (covalently) between the two Atoms. Molecular Orbitals replace the Atomic Orbitals. Molecular orbitals are either Bonding or Anti-Bonding. The Bonding Orbitals are lower energy and are more commonly used for bonding. Each Molecular Orbital can hold at most two electrons. There are only three types of Molecular orbitals: sigma, pi, and delta. Sigma orbitals are formed when the "ends" of Atomic Orbitals bond, and thus are free to rotate after bonding. Pi and delta Molecular Orbitals are by side by side bonding and thus are not free to rotate. (CHEMICAL does not include delta bonds) 2.6) Bonding Atomic and Molecular orbitals have energy states associated with them. Bonding occures when a lower energy state occurs by sharing electrons. No more than two electrons may occupy any orbital. When many possible bonds exist the lowest energy one will dominate and determine the 3 dimensional configuration. Typically each atom donates an electron for bonding. Sometimes one atom will donate both electrons, this is called a Dative bond. Occasionally bonding can only occur by using the higher energy anti-bonding orbitals. The bond order is determined by the number of pairs of electrons in bonding orbitals minus the number of pairs of electrons in anti-bonding orbitals. The higher the bond order the stronger the bond. 2.7) Size of Atoms Atoms for higher numbered elements are generally larger. The size also varies with the type of hybrid and bonding. CHEMICAL has a built in table of atom sizes according to the orbital type and bond order. This information was taken from the Van Nostrand's Scientific Encyclopedia. 2.8) Ions Atoms that loss or gain electrons are called ions. CHEMICAL has a built in table of typical ions. Negative ions are large because they has gained an additional electron. Positive ions are small due to the loss of an electron. 2.9) Electronegativity The power of attraction that an atom shows for electrons is called electronegativity. Electronegativity is a measure of the attraction of an atom for electrons in its outer shell. The EGA colors in CHEMICAL (when the color scale is active) are selected to correspond to the electro- negativity: Red being low and blue being high. 2.10) sp, sp2, and sp3 Hybrids The s, p, and d atomic orbitals combine to form hybrids. The directional characteristic of these hybrids combine the characteristics of the composite atomic orbitals. In addition the new hybrid orbitals position themselves so as to have the maximum angle between any two orbitals. 2.11) Flat ring structures The sp2 hybrid has three bonds oriented in a plane. The angle between these bonds is 120 degrees, which is the same as the angle in a six side figure. Therefore, six sp2 can combine to form a six atom ring. However, a five sided ring has 112 degrees between its angles. In order to make five sided structures using sp2 hybrids the sp2_5 hybrid is included. This hybrid is the same as sp2, except that the angles between the ' and ` bonds are changed to 112 degrees. These two bond are the default (highlighted) bonds. This makes five ring structure easy to make. The angle between bond for the sp3 hybrid is not correct for either 5 or 6 ring structures. Therefore, the sp3_5 and sp3_6 bonds are provided. The sp2, sp2_5, sp3_5, and sp3_6 hybrids form flat rings. Some Molecular structures have a 5 ring connected to a 6 atom ring. To generate this structure select the 6 atom in the large ring first. Make sp2 or sp3_6 hybrids of these six atoms. Bond all of these atom together to form a ring Next select the 3 atoms needed to form the 5 atom ring, and make sp2_5 or sp3_5 hybrids. The default bond selections should make the desired structure. 2.12) sp3 Rings Rings can be made using the sp3 hybrids. However this structure can not be flat because the angles between bonds are not 120 degrees. This is the structure formed by choosing the default selections. 2.13 d2sp3 Hybrids When CHEMICAL forms hybrids, the electrons are re-distributed among the new orbitals. In the hybrids presented so far the distribution is done so as to spread out the electrons among all the hybrids. This forms hybrids with only one electron that can be used for covalent bonding. However, the electron distribution in some hybrids, such as d2sp3 is different. These hybrids have no electrons, and require two electrons from another atom to form a covalent bond. These are called coordination compounds. 2.14 The W and R commands The W and R commands are used to save and recover from errors. Complex molecules are difficult to make because of the large number of possible bonds. Using the W command can save a lot of work. 2.15 Data File Structure This is an example of a data file: chemical_name("H2O Water") chemical(a(3,"H ",o("1s",1,"σ",1))) chemical(a(1,"O ",o("3p(z)",1,"σ",3))) chemical(a(2,"H ",o("1s",1,"σ",1))) chemical(a(1,"O ",o("3p(y)",1,"σ",2))) atomlocation(1,l(0,-466,-466,0.7,0,0,0,6),1) atomlocation(2,l(0,931,-466,0.375,4.712387201,0,1.57079633,1),1) atomlocation(3,l(0,-466,931,0.375,0,-1.57079633,0,1),1) commandactive("Files") viewshown("Top") grid(8) atom_count(4) Each orbital is represented by a line labeled "chemical" and contains the Selection Number, the Atom Name, the orbital name, the number of electrons in this orbital, the bond type(if bonded), and the atom number bonded to. Each atom has a line labeled "atomlocation" giving: the X,Y,Z coordinates, the radius, the X,Y,Z rotation angle of the Atom, and the color of the atom (last integer is used internally in program). Several people have requested the capability to output CHEMICAL files to other I/O devices or formats. A program can be written to convert to/from the "atomlocation" values in the *.DAT file. The X,Y,Z values are two byte integers that need to be divided by 1300 to give angstroms. The radius is an 8 bytes real (IEEE format) value in angstrums. 3.0) CHEMVIEW 3.1) Starting CHEMVIEW CHEMVIEW can be started by entering chemview at the DOS prompt, or by the FA command when using CHEMICAL. CHEMVIEW only works with an EGA monitor, so no selection of graphic mode is provided. Once CHEMVIEW is started select a file using the cursor and CR keys. 3.2) Commands The direction of rotation and image size can be changed via the following commands: cursor keys change direction of rotation + key makes image bigger - key makes image smaller End key stops motion (use cursor key to restart) Space Key returns to File Menu Ctrl Break exits CHEMVIEW 4.0) CRYSTAL 4.1) Starting CRYSTAL Start crystal by entering CRYSTAL at the DOS prompt. An EGA card and monitor is required. Crystal requires two color graphics pages to show animation, this is only available on the EGA monitor. 4.2) Examples Several example files are included on the disk. To view these use the R command to read files from the disk. Then use the V command to view the files. Use the cursor keys to change the direction of rotation and the space key to exit view mode. The + and - keys change the image size. The End key stops rotation. 4.3) Editor and Help File Modification are made using the built in text editor. Help in using the text editor is available using the F1 key when in the edit mode. Help for command format and an ion list are available using the shift F1 command. The F5 key can be used to make the help window bigger. 4.4) Ionic Crystals Most crystal consist of atoms that are bonded with ionic bonds. Ionic bonds differ from covalent in that the electron is captured by one of the atoms, rather than being shared. Crystals are large structures that are formed by a repeated pattern of unit cells. The simplest cell is a cube. 4.5) Cubic Cell New structures are made by entering text into the built in editor. Each command must be on one line and terminated with a period and CR (Enter Key). Clear the previous text by using the C (clear) command. Then enter the editor using the E (edit) command, then enter the following lines: { Cu3Au }. Make cube dimensions 3.90 A. Place Au atoms at the corners of the cube. Place Cu atom at the center of the cube. Place Cu atoms on the faces of the cube. Using the view command will then show the crystal. The top line is a comment line, and is not part of the program. The cube dimensions are set by the next line. Atoms are placed in the cube by the following lines. Next add this line: Duplicate the cube. The view command will show how the cube structure repeats to make a larger structure. 4.6) Lattice Cell Lattice cells have sides of different length. The length and angles of the sides can be defined by the commands: Make lattice dimesions 5.38, 5.38, 8.44 A. Make lattice angles 30 90 90 Degrees. 4.7) Placement of Atoms within Cells The following example shows how atoms can be placed within cells: { BiF3 } Make cube dimensions 5.12 A. Make atoms full scale. Place Bi3+ atoms at the corners of the cube. Place Bi3+ atoms on the faces of the cube. Place an F- atom at the center of the cube. Place F- atoms on the edges of the cube. Place F- atoms at (0.25,0.25,0.25), (0.25,0.25,0.75). Place F- atoms at (0.25,0.75,0.25), (0.25,0.25,0.75). Place F- atoms at (0.75,0.25,0.25), (0.25,0.25,0.75). Place F- atoms at (0.75,0.75,0.25), (0.25,0.25,0.75). 4.8) Atom Scale and Colors The default atom scale and colors can be changed with the following commands: Color Fe2+ atoms red. Make atoms full scale. APPENDIX A CHEMICAL Commands A - (Atom) This command displays a periodic table. Elements are selected by moving the cursor to the desired Element, then depressing the CR key. The esc key is used to exit this command. B - (Bond) This command is used to bond two atoms. A list of all atoms selected is displayed, along with its electron orbital configuration. The size of the atom is determined the first time it is bonded. A choice of three bond types: Anti, Dative, and Shared, is provided to determine which atom in a bond will supply the two electrons needed for a molecular orbital. A shared bond takes two electron from each atom. A Dative bond takes both electons from one atom. An anti bond allows three or four electrons to be used in the bond. C - (Clear) This command clears the screen and the buffer for all Atoms and Bonds selected so far. A Yes/No menu is used to reduce the change of accidently clearing the buffer. FA - (Animate) This command executes program CHEMVIEW which shows molecules in 3 dimensional rotation (on EGA monitors only). The cursor keys are used to change the direction of rotation, the + and - keys change the size, the End key stops rotation, the space bar returns to the CHEMVIEW window and the Ctrl Break key returns to CHEMCIAL. CHENVIEW.EXE must be on the default disk. FB - (View Buffer) This command stores the buffer under the file name TEMP.DAT, then allows the file to be viewed. FH - Show help file FM - Minimize Chemical File size by deleting unused orbitals. Do not use this command until you are completely done, since no additional bonds can be made to a minimized file. FR - Read a Chemical File FS - Goto Operating System, EXIT returns to CHEMICAL. FT - Show Tutorial File FV - View a file from disk FW - Write a Chemical File G - (Group) This command is used to attaches groups of atoms that were made using the Bond command. One atom from the group selected is attached to an atom of a group previously selected. The new group can be rotated around the X,Y, or Z axis before it is attached. H - (Hybrid) This command is used to combine electron orbitals into hybrids. A list of possible Hybrids is displayed. A _5 or _6 ending indicates that the bonding angles have been adjusted to make a 5 or 6 bond ring. I - (Ionize) This command is used to ionize an atom. A list of the possible ionizations is displayed. MA - (Move) This command is used to manually move an Atom or Group. MC - Change color of atom. The color for all atoms of the type selected are changed. MD - Deletes a selected atom from the current buffer. This command is most useful for modifing an existing file into a similar chemical. All atoms following the one selected are re-numbered. This command may require several seconds on large files. MR - (Re-center) All atoms are re-centered on the screen. This command is used when reading files generated by older versions of CHEMICAL. MS - Rotate around Sigma Bond - Atoms are free to move around sigma bonds, and will generally do so to minimize the energy of the system. This command will rotate an atom and other attached atoms. MX - Rotate atoms around X axis. Do not use any of the rotate commands until the molecule is complete. The angle for bonds made after rotation may not be correct. MY - Rotate atoms around Y axis MZ - Rotate atoms around Z axis R - (Not on Menu) Read to buffer from TEMP.DAT SB - Toggles Bond lines on/off. Bond lines are only available in graphic mode with 16 colors. SC - Toggles electronegativity scale on/off. When on, a color scale is shown at the bottom of the display window (EGA mode only). The atom colors are changed to correspond to the electronegtivity of the atom. When off no scale is shown and the colors are changed to have more contast. SE - Toggles expanded view on/off. SG - Toggles grid on/off. SN - Toggles atom numbering on/off. V - (View) This command will show the view of the chemical that has been selected by the up/down cursor keys. The horizonal axis and vertical axis are shown in the upper right hand corner of the screen. Lines are shown to indicate bonds. The upper right hand corner of the screen shows which axis (X, Y, or Z) is aligned with the vertical and horizontal view shown. Atoms are listed on the left. In 16 color modes, the color is used to designate the atoms. In 2 and 4 color modes, the atoms are labeled. W - (Not on Menu) The Write command write the buffer to the file TEMP.DAT. The Write and the Read commands can be used to recover from an error during construction of a chemical. APPENDIX B CRYSTAL Commands { COMMENT } Color __ atoms Red|Pink|Light_Pink|Orange|Gold|Yelow|Mint_Green Forrest_Green|Green|Light_Green|Light_Blue Violet_Blue|Blue_Violet|Blue|White. Duplicate cells. Make atoms __ scale. Make cube dimensions __ A|pm. Make lattice dimensions __ __ __ A|pm. Make lattice angles __ __ __ degrees. Place __ atom|atoms at center|corner|edge|face of cube|lattice. Place __ atoms at (__,__,__), (__,__,__), ... . Place __ atoms on body centered cube. Place __ atoms on cubic closest packing. Place __ atoms on face centered cube."), Place __ atoms on a hexagonal lattice."). Ac 2.0 Ac3+ 1.11 Ag 1.44 Ag+ 0.97 Al 1.43 Al3+ 0.57 Am3+ 1.00 Am4+ 0.85 As 1.21 As3+ 0.69 As3- 1.99 As5+ 0.47 At 1.40 Au 1.44 Au+ 1.37 B 0.88 B3+ 0.2 Ba 2.17 Ba2+ 1.38 Be 1.11 Be2+ 0.31 Bi 1.46 Bi3+ 1.20 Bi3- 2.217 Bi5+ 0.74 Br 1.14 Br- 1.97 Br7+ 0.39 C 0.77 C4+ 0.15 C4- 2.60 Ca 1.97 Ca2+ 1.06 Cd 1.49 Cd2+ 0.99 Cl 0.99 Cl- 1.81 Cl7+ 0.26 Co 1.26 Co2+ 0.78 Co3+ 0.65 Cr 1.25 Cr2+ 0.80 Cr3+ 0.70 Cr6+ 0.52 Cs 2.62 Cs+ 1.70 Cu 1.28 Cu+ 0.96 Cu2+ 0.72 F 0.64 F- 1.36 F7 0.07 Fe 1.26 Fe2+ 0.80 Fe3+ 0.67 Ga 1.22 Ga3+ 0.65 Ge 1.22 Ge2+ 0.65 Ge4+ 0.55 H- 2.08 Hg 1.55 Hg2+ 1.12 I 1.33 I- 2.16 I7+ 0.50 In 1.62 In3+ 0.95 Ir 1.35 Ir4+ 0.66 K 2.31 K+ 1.33 Kr 1.69 La 1.88 La3+ 1.07 Li 1.52 Mg 1.60 Mg2+ 0.75 Mn 1.29 Mn2+ 0.83 Mn3+ 0.52 Mn7+ 0.46 Mo 1.36 Mo4+ 0.68 Mo6+ 0.65 N 0.70 N3- 1.56 N5+ 0.11 Na 1.86 Na 1.86 Na+ 1.00 Ne 1.12 Ni 1.24 Ni2+ 0.74 Np3+ 1.02 Np4+ 0.88 O 0.66 O2- 1.4 O6+ 0.09 Os 1.34 Os4+ 0.65 P 1.1 P3- 1.92 P5+ 0.34 Pb 1.75 Pd 1.38 Pd2+ 0.50 Po 1.4 Po4+ 0.9 Pt 1.38 Pt2+ 0.52 Pt4+ 0.55 Pu3+ 1.01 Pu4+ 0.86 Ra 2.2 Ra2+ 1.42 Rb 2.44 Re 1.37 Re6+ 0.52 Rh 1.34 Rh3+ 0.75 Rh4+ 0.65 Ru 1.33 Ru4+ 0.60 S 1.04 S2- 1.855 S6+ 0.29 Sb 1.41 Sb3+ 0.90 Sb3- 2.17 Sb5+ 0.62 Sc 1.6 Sc3+ 0.83 Se 1.17 Se- 1.96 Se4+ 0.40 Se6+ 0.42 Si 1.17 Si4+ 0.40 Sn 1.4 Sn2+ 1.02 Sn4+ 0.65 Sr 2.15 Sr2+ 1.18 Tc 1.3 Tc4+ 0.50 Te 1.37 Te2- 2.21 Te4+ 0.84 Te6+ 0.56 Th4+ 0.95 Ti 1.46 Ti2+ 0.76 Ti4+ 0.60 Tl 1.71 U3+ 1.04 U4+ 0.89 V 1.31 V2+ 0.82 V3+ 0.75 V5+ 0.59 W 1.37 W4+ 0.68 W6+ 0.65 Xe 1.9 Y 1.80 Y3+ 0.91 Zn 1.33 Zn2+ 0.75 Zr 1.57 Zr4+ 0.80 APPENDIX C Crystal Editor Commands Start of line Home Ctrl-Q Ctrl-S End of line End Ctrl-Q Ctrl-D Scroll up Ctrl-W Scroll down Ctrl-Z Page up PgUp Ctrl-R Page down PgDn Ctrl-C Start of text Ctrl-PgUp Ctrl-Q Ctrl-R End of text Ctrl-PgDn Ctrl-Q Ctrl-C Previous position Ctrl-Q Ctrl-P Goto line Ctrl-F2 Ctrl-Q Ctrl-L Goto position Shift-F2 Insert new line Ctrl-N Backspace Ctrl-H Delete character Del Ctrl-G Delete word Ctrl-T Delete to start of line Ctrl-Q Ctrl-T Delete to end of line Ctrl-Q Ctrl-Y Delete line Ctrl-BackSpace Ctrl-Y Copy block Ctrl-F5 Copy block again Shift-F5 Copy block to printer Alt-F8 Copy block to file Alt-F5 Copy block from file F7 Move block Alt-F6 Delete block Alt-F7 Undo delete block Ctrl-F7 Ctrl-K Ctrl-U Change case for a block Ctrl-F6 Search Ctrl-F3 Search again Shift-F3 Replace F4 Replace again Shift-F4 APPENDIX D Mouse Drivers The following program can be used with a LOGITECH mouse BEGIN LeftB, MidB, RightB, LeftM, RightM, UpM, Down, 50, 100 LeftB: TYPE ENTER MidB: TYPE esc RightB: TYPE " " LeftM: TYPE 0,75 RightM: TYPE 0,77 UpM: TYPE 0,72 DownM: TYPE 0,80 Load LOGITECH Menu program then compile above program using using Newmenu. The following program can be used with a MouseSystems Mouse: Sensitivity (30, 40) ; (Xinc, Yinc) Hysteresis (2, 2) ; (AutoX, AutoY) ArrowKeys: Cursor ( Left ([Left]) Right ([Right]) Up ([Up]) Down ([Down]) ) LB: Button (Keys([Enter])) ; Left button, Main Menu MB: Button (Keys([Esc])) ; Middle button RB: Button (Keys([Esc])) ; Right button Mouse ( Left (LB) Middle (MB) LeftRight(MB) Right (RB) Cursor (ArrowKeys) )