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Administrator Atom Properties . . . . . . . . . . . . . . . . . . . . . . . . . . 460 Special Atom Types . . . . . . . . . . . . . . . . . . . . . 460 Atom Lists . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 460 Substituents: Exactly . . . . . . . . . . . . . . . . . . . . 460 Substituents: Up To . . . . . . . . . . . . . . . . . . . . . 461 Substituents: Free Sites . . . . . . . . . . . . . . . . . . 461 Unsaturation . . . . . . . . . . . . . . . . . . . . . . . . . . . 462 Bond Properties . . . . . . . . . . . . . . . . . . . . . . . . . . 462 Special Bond Types . . . . . . . . . . . . . . . . . . . . . 462 Topology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 463 Reaction Center . . . . . . . . . . . . . . . . . . . . . . . . . 463 Reaction Searching . . . . . . . . . . . . . . . . . . . . . . . . 463 Reaction Centers . . . . . . . . . . . . . . . . . . . . . . . . 463 Atom-to-Atom Mapping . . . . . . . . . . . . . . . . . 464 Searching for Reactants . . . . . . . . . . . . . . . . . . 465 Searching for Products . . . . . . . . . . . . . . . . . . 465 Searching with the Search Location Field . . . . . . 465 Searching with Collection Attributes . . . . . . . . . . 466 Searching with the Property Query and Table Query Fields. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 467 Adding Properties to the Field. . . . . . . . . . . . . . 467 Removing Properties from the Field . . . . . . . . 467 Search Options . . . . . . . . . . . . . . . . . . . . . . . . . . . 468 Searching for Text with the Query Text Field . . 468 Basic Text Searching. . . . . . . . . . . . . . . . . . . . . . . 469 Exact Phrase Matching . . . . . . . . . . . . . . . . . . 469 Wildcard Searching . . . . . . . . . . . . . . . . . . . . . . 469 Advanced Text Searching . . . . . . . . . . . . . . . . . . 470 Escape Characters . . . . . . . . . . . . . . . . . . . . . . 470 ABOUT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 470 AND (&) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 471 EQUIValence (= ) . . . . . . . . . . . . . . . . . . . . . . 471 Fuzzy (?) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 472 MINUS (-) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 472 NEAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 473 NOT (~) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 474 OR (|) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 474 Soundex (!) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 475 Stem ($) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 475 Searching for Unannotated Collections . . . . . . . . 475 Refining a Search . . . . . . . . . . . . . . . . . . . . . . . . . . . 476 Working with Query Results . . . . . . . . . . . . . . . . . 477 Viewing Items in a Results List . . . . . . . . . . . . . 477 Saving a Results List . . . . . . . . . . . . . . . . . . . . . . 477 Saving a Query . . . . . . . . . . . . . . . . . . . . . . . . . . . 477 Running a Saved Query . . . . . . . . . . . . . . . . . 478 Chapter 33: Viewing User Information Using the Session Manager Ending a Session . . . . . . . . . . . . . . . . . . . . . . . . . 480 Refreshing E-Notebook Chapter 34: Managing Section Types and Forms Creating a New Section Type . . . . . . . . . . . . . . . . 481 Managing Fields within a Section Type. . . . . . . . 482 Adding a Field to a Section Type . . . . . . . . . . . 482 Managing Summary Fields in a Table of Contents . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 483 Managing Form Tools . . . . . . . . . . . . . . . . . . . . . . 483 Adding a Form Tool to a Section Type . . . . . . 484 Viewing and Editing the Properties of a Form Tool . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 485 Removing a Form Tool from a Section Type. 485 Managing the Standard Form Tools. . . . . . . . . 486 Managing the Next Step Form Tool . . . . . . 486 Managing the New Section Form Tool . . . 487 Managing the New Subsection Section Form Tool . . . . . . . . . . . . . . . . . . . . . . . . . . . . 487 Managing the Spectrum Form Tool . . . . . . 487 Managing the Active Document Form Tool 487 Managing the Insert Reference Form Tool 488 Managing the Print Multiple Form Tool . . 489 Managing Section Listeners. . . . . . . . . . . . . . . . . . 489 Adding a Section Listener to a Section Type . 489 Viewing and Editing the Properties of a Section Listener . . . . . . . . . . . . . . . . . . . . . . . . . 490 Removing a Section Listener from a Section Type . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 490 Managing the Standard Section Listeners . . . . 491 Managing the Required Section Listener . . 491 Managing the Fixed Section Name Listener 491 Managing the Audit Section Listener . . . . . 492 Configuring a Form . . . . . . . . . . . . . . . . . . . . . . . . 492 Configuring a New Form . . . . . . . . . . . . . . . . . . 492 Setting the Fields in Boxes . . . . . . . . . . . . . . . 493 <strong>CambridgeSoft</strong>
Reconfiguring an Existing Form. . . . . . . . . . . . 494 Adding a Field to an Existing Form . . . . . . 494 Rearranging Boxes in a Form . . . . . . . . . . . . 495 Deleting a Box from a Form . . . . . . . . . . . . . 495 Showing and Hiding the Max Button for a Box . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 496 Hiding the Max Button . . . . . . . . . . . . . . . . . 496 Showing the Max Button . . . . . . . . . . . . . . . . 496 Showing and Hiding the Name of a Box . . . . 497 Hiding the Box Name . . . . . . . . . . . . . . . . . . . 497 Showing the Name of a Box . . . . . . . . . . . . . 498 Resizing Boxes in a Form. . . . . . . . . . . . . . . . . . 498 Changing the Weight of a Box . . . . . . . . . . . 498 Changing the Dimensions of a Box Manually . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 499 Clearing Fields when Configuring a Form . . . 500 Hiding Fields and Boxes when Configuring a Form . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 500 Hiding a Box . . . . . . . . . . . . . . . . . . . . . . . . . . . 500 Hiding Fields in a Form . . . . . . . . . . . . . . . . . 501 Changing Box Orientation. . . . . . . . . . . . . . . . . 501 Managing Export Templates for Section Types . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 502 Creating the Export Template for a Section Type. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 503 Editing the Export Template for a Section Type. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 503 Section Metadata Tags . . . . . . . . . . . . . . . . . . 504 Standard Field Types . . . . . . . . . . . . . . . . . . . 504 Page Breaks . . . . . . . . . . . . . . . . . . . . . . . . . . . . 505 Chapter 35: Managing Fields Managing Data Fields. . . . . . . . . . . . . . . . . . . . . . . 507 Managing Active Document Fields . . . . . . . . . 508 Managing Active Document Field Listeners 508 Managing the Prevent External Link Active Document Field Listener . . . . . . . . . . . . . . . 508 Managing AutoText Fields. . . . . . . . . . . . . . . . . 509 Managing Chemical Structure Fields . . . . . . . . 510 Managing Chemical Structure Field Listeners . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 511 Managing Database Table Fields . . . . . . . . . . . 511 Creating a Database Table Field . . . . . . . . . . 511 Configuring a Database Table Field . . . . . . . 512 Managing Excel Fields . . . . . . . . . . . . . . . . . . . . . 514 Managing Property Lists . . . . . . . . . . . . . . . . . . . 515 Creating a Property List . . . . . . . . . . . . . . . . . 516 Managing Enumerated Values in Property Lists . . . . . . . . . . . . . . . . . . . . . . . . . . 517 Managing Database Values in Property Lists . . . . . . . . . . . . . . . . . . . . . . . . . . 519 Managing Property List Listeners . . . . . . . . . . . 521 Managing the Block Reference In State Property List Listener . . . . . . . . . . . . . . . . . . 522 Managing the Person Property List Listener 523 Managing the Chemical Properties Property List Listener . . . . . . . . . . . . . . . . . . 523 Managing the Validate Value Property List Listener . . . . . . . . . . . . . . . . . . . . . . . . . . . 523 Managing Spectrum Fields . . . . . . . . . . . . . . . . . 524 Managing Stored Document Fields. . . . . . . . . . 524 Managing Subsection Fields . . . . . . . . . . . . . . . . 525 Managing Subsection Field Listeners . . . . . . 526 Managing the Button View Subsection Listener . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 527 Managing Table Fields . . . . . . . . . . . . . . . . . . . . . 527 Creating a Table Field . . . . . . . . . . . . . . . . . . . 528 Configuring the Appearance of a Table . . . . 529 Managing Database Values in Tables . . . . . . 529 Managing Enumerated Values in Tables . . . 532 Managing Table Listeners . . . . . . . . . . . . . . . . 533 Managing URL Display Fields . . . . . . . . . . . . . . 535 Managing Search Fields. . . . . . . . . . . . . . . . . . . . . . 536 Managing Chemical Query Fields . . . . . . . . . . . 536 Managing Collection Query Fields . . . . . . . . . . 536 Managing Collection Type Query Fields . . . . . 537 Managing Query Text Fields . . . . . . . . . . . . . . . 537 Managing State Query Fields . . . . . . . . . . . . . . . 538 Managing Property Query Fields. . . . . . . . . . . . 539 Managing Table Query Fields. . . . . . . . . . . . . . . 539 Managing Unannotated Version Query Fields 540 Managing Search Location Fields . . . . . . . . . . . 540 Managing Join Type Fields . . . . . . . . . . . . . . . . . 541 Managing the Add-In Configuration . . . . . . . . . . 541 Changing a Field Type . . . . . . . . . . . . . . . . . . . . . 542 Adding a new Field Type. . . . . . . . . . . . . . . . . . . 542 <strong>ChemOffice</strong> 2005
Page 1: ChemOffice.Com ® ChemOffice ® Che
Page 4 and 5: License Information ChemOffice, Che
Page 6 and 7: · Licensed users of ChemOffice Ent
Page 8 and 9: computer, except as provided below.
Page 10 and 11: Q: IS IT OK TO COPY MY COLLEAGUE’
Page 12 and 13: A Guide to CambridgeSoft Manuals An
Page 14 and 15: Chapter 31: Changes and Audit Trail
Page 16 and 17: Administrator Tutorial 7: Docking M
Page 18 and 19: Administrator Connection Table . .
Page 20 and 21: Administrator Specifying Properties
Page 22 and 23: Administrator Undoing Changes . . .
Page 24 and 25: Administrator Chapter 28: Introduci
Page 28 and 29: Administrator Deleting a Field Type
Page 30 and 31: Administrator Example 2. . . . . .
Page 32 and 33: Administrator Reaction Center . . .
Page 34 and 35: Administrator In addition to browsi
Page 36 and 37: Administrator Microsoft®Windows®
Page 38 and 39: Administrator Truncated-Newton-Raph
Page 40 and 41: Administrator the activation each t
Page 42 and 43: Administrator The following table d
Page 44 and 45: Administrator • Stereo Pairs—A
Page 46 and 47: Administrator • Bond Angles—Dis
Page 48 and 49: Administrator The Building Toolbar
Page 50 and 51: Administrator The Calculation Toolb
Page 52 and 53: Administrator 1. Right-click in the
Page 54 and 55: Administrator • In the Model Sett
Page 56 and 57: Administrator modes and color setti
Page 58 and 59: Administrator 26 •Chem3D Basics C
Page 60 and 61: Administrator 2. Click the ChemDraw
Page 62 and 63: 3. Move the pointer over the C-C bo
Page 64 and 65: Administrator Add serial numbers an
Page 66 and 67: Administrator 5. Press the Enter ke
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Page 70 and 71: Administrator In the Measurements t
Page 72 and 73: A molecule of Epinephrine appears.
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Administrator To save the iteration
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The allyl radical, CH 2 =CHCH 2·,
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Administrator Determine the raw spi
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Administrator atoms are relatively
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Administrator The following table d
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Administrator When Correct Atom Typ
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Administrator To use the same text
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Administrator Example 2. Building a
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Administrator copied into blank tab
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Administrator 3. Type the atom type
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Administrator Clean Up Structure or
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Setting Serial Numbers this step, y
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Administrator Refining a Model Afte
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Administrator Selecting Multiple At
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Administrator New in Chem3D version
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Administrator Dragging moves atoms
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Administrator 3. Hold down the Shif
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To position a plane in your model p
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Administrator • Second Positioned
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Administrator For example, consider
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To change the structural display ty
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Administrator When sizing by partia
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Administrator Depth Fading3D enhanc
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• Select Parallel to rotate the r
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Administrator • From the Computat
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Surface Type Description Surface Ty
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Administrator 2. Adjust the slider
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Administrator Density surface is ca
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Administrator 100•Displaying Mode
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Administrator If you want to displa
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Administrator Example: To examine t
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Administrator Chem3D provides two o
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Administrator change a property. By
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Administrator To add to a group: 1.
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To stop spinning: • On the Movie
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Administrator If you want to … Th
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Administrator EPS The PostScript fi
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If you want the file to … Then cl
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Molecular Design Limited MolFile (.
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Administrator 7. Leave the last lin
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Administrator 124•Printing and Ex
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Administrator • Semiempirical Ext
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Method Type Advantages Disadvantage
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Administrator • A single point ca
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Administrator • Molecular mechani
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Administrator constant), while θ 0
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Administrator The van der Waals int
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Administrator 6. The modified value
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the same wave function and a consta
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Administrator A variety of other ba
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Administrator Molecular wave functi
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Administrator activation barriers.
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3. From the Calculations menu, poin
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Administrator Intermediate status m
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Administrator staggered form. The m
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Administrator During dragging, the
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If you want to … Then Click … A
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Compute Properties The Compute Prop
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Administrator C(2)-C(3)-C(4) bond a
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Administrator The procedures assume
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Administrator improvements in each
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Administrator • Overall errors in
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Administrator The following table c
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Administrator TRIPLET QUARTET QUINT
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Administrator Chemical symbol ++ ba
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Administrator 4. Click Run. A new m
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Administrator Minimizing Energy Min
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Administrator criteria, to optimize
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Administrator 6. Hold down the S ke
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Administrator Dipole Moment The dip
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Administrator Molecular Surfaces Mo
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The following table contains the ke
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Administrator 3. Click in the model
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Keyword Description 7. On the Prope
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Administrator Hyperfine Coupling Co
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Administrator 194•MOPAC Computati
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Administrator If you want to … re
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Administrator In the Results In tex
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Administrator Repeating a Gaussian
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Administrator To specify the calcul
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Administrator 3. Click Open. The ap
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Property Description Property Descr
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Property Description Error Message
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Administrator Property Electronic E
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Administrator • Server—limits t
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Administrator To perform property c
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The Step 4 of 4 dialog box appears.
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Administrator • From the ChemOffi
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Administrator 220•Introduction Ca
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. The components of the ChemFinder
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Administrator Screen Element Table
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Administrator • From the View men
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Administrator A form displays data
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. In this tutorial, you learn to cr
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A selected data box is designated b
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Administrator The database opens, a
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9. Click the Form tab. There should
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to see some of the information avai
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• From the Record menu, choose Fi
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Administrator The Table view appear
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+ The ISICCR database opens in Chem
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Administrator To search over a list
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When you release the mouse button,
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Administrator 250•ChemFinder Tuto
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The Open dialog box appears. To cho
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A data source tree appears, contain
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ChemFinder saves the form with a .c
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The framed data box is labeled. NOT
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Administrator To save a metafile fr
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Administrator • Rich Text—displ
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Administrator Adding a Data Box Men
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Administrator Customizing Numbers U
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Administrator When the selection to
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To line up objects on a form: Admin
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Administrator to those usernames. M
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Administrator • Take the appropri
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To disable security and reset defau
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Administrator • In the new dialog
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To search: Administrator 8. Take th
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Administrator 282•Relational Data
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Administrator The following table s
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1. Click one of the column headers
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Administrator Creating Tables There
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Creating Fields Administrator 4. Fr
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The name of the new field appears i
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Administrator ChemFinder creates a
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Administrator atoms contained in th
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Administrator • If you are editin
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Administrator The record is permane
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Administrator The plot appears in a
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Administrator Context menu options
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Administrator In the bottom diagram
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Administrator 308•Visualizing Dat
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The general procedure for importing
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Administrator Using Log Files Durin
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Administrator d. The input file has
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Administrator Export to SDFile When
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Administrator benz OR *bromo* Benze
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Search Type Administrator Normal Se
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Administrator The hit list will inc
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Administrator as part of the data a
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Administrator • Setting the searc
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If you want to Then click Administr
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Administrator ChemFinder searches o
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Administrator • With Stereo Cente
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Administrator Managing Queries Chem
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To reset searches to the full datab
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Administrator To create the hitlist
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Administrator Using ChemDraw's Atom
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Administrator With reaction centers
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To set the options for what ChemFin
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Administrator To return all the too
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Administrator Creating a Script To
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Administrator rather difficult, but
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Administrator 352•Customizing Che
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Administrator Opening an Oracle Dat
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Administrator • Restore Previous
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Administrator 6. Set other options
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Administrator 360•ChemFinder/Orac
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To activate CombiChem/Excel: The Co
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Administrator Adding a Reaction Tem
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Administrator Reactant List Format
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Administrator • You can configure
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An analysis of the reaction steps a
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Administrator ChemFinder/Office tit
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Administrator For more information
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Administrator The Open Chemical Str
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Administrator 3. From the Molecules
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Administrator To use the Search Opt
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Changing the Chem- Finder/Office Pr
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Administrator • Enhanced table of
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Administrator In addition, this gui
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Administrator 388• Introducing E-
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Administrator You can organize coll
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Creating a Page or Experiment Admin
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Administrator Working with the User
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Administrator Showing and Hiding Co
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Administrator • Right-click any b
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Administrator If your system config
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Administrator Your system configura
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Administrator Working with Template
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Administrator Desired Result Change
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Administrator To export to MS Word:
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Administrator 410• E-Notebook Use
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Administrator NO 2 NO 2 Me Me HC(OE
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Administrator • Top of Arrow as R
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Administrator • Equivalents - the
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The example below shows the Prepara
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Administrator Ethanol was selected,
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Administrator Type in the AutoText
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Adding Properties to Property Lists
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Type of Measurement Permitted Units
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3. Enter the URL and click OK. Work
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Administrator A new Ancillary Data
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Administrator Replacing a Spectrum
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The row is removed from the Table.
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Administrator you enter an invalid
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Administrator Type of Measurement m
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Administrator 4. The spreadsheet ap
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5. Click the section menu icon. The
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Administrator Printing Sections You
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Administrator Clicking the Changes
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. Administrator The version of the
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Administrator In some configuration
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Administrator 452• Changes and Au
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Administrator 2. If no form appears
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Administrator Query Text Field The
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Administrator • In searching subs
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Administrator Isotopes Isotopic lab
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Finds: Cl Does not find: Finds: O D
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Administrator either side) is part
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Administrator • Browse to the roo
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Administrator 2. Select Remove Prop
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Administrator Advanced Text Searchi
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For example, the following searches
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Administrator Searching For ... Ret
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3. Click the Search In... checkbox
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Administrator The Collection Tree a
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2. Select Session Manager.... The S
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Administrator A new section type ap
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Administrator See the following top
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Administrator 3. If necessary, clic
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compute the checksum for the upload
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Administrator 4. A new Section List
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Administrator Managing the Audit Se
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Administrator The field appears in
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A menu appears. 2. Select Box Prope
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Showing the Name of a Box To show t
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Administrator contained box accordi
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Administrator In the form we are sh
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Administrator For example, if there
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Administrator 506• Managing Secti
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Administrator Several fields types
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Administrator • Default Font - yo
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The Section Type Configuration dial
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Administrator Example 1 In this exa
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Administrator See the following top
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Administrator Associating a list of
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Administrator • Username - An opt
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Administrator To add a property lis
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Administrator from the Property dro
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Administrator The Field Properties
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Administrator Another feature of ta
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Administrator 3. Right-click the Ta
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Administrator • SupplierID - the
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Administrator reactants and product
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Managing Search Fields Administrato
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Administrator • Certain types of
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4. Enter a name for the field and s
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Administrator To access the Add-In
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Administrator In the query table fi
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Administrator 546• Managing Field
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Creating a New Collection Type The
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Administrator 5. Click the Add>> bu
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Administrator A menu appears with t
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Administrator 2. To expand the coll
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CHEMICAL Chemical Databases Referen
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CONSULTING & Consulting & Services
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CS Software Problem Report For fast
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