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Software for Organic Chemistry

Pricing of software is complicated by the availability of discounts for quantities, different prices for the same software running on different platforms, network prices, and others. Potential users should contact the publishers about quantity discounts or network installations. Some titles may be available free or at additional discount with adoption of certain textbooks.

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This file last serviced 6/2/99

Advanced Chemistry Development, Inc.

• ACD/ChemSketch 3.5 is a "smart" chemistry drawing package that includes a 3D Viewer
• Windows
• This comes as a part of CNMR or HNMR, but is also available independent of the other products; a freeware version can be downloaded
• Reviewed in Journal of Chemical Education 74, 905 (August, 1997)

• CNMR Predictor, Database, Spectrum Generator sophisticated carbon NMR spectra prediction
• Windows
• Price unavailable; network versions available
• Reviewed in Journal of Chemical Education 74, 905 (August, 1997) , in J. Chem. Inf. Comput. Sci. 1997 37 726, and in Analytical Chemistry 1996 68 740 A - 741 A.

• HNMR Predictor, Database, and Spectrum Generator sophisticated proton NMR spectra prediction
• Windows program
• Price unavailable; network versions available
• Reviewed in Journal of Chemical Education 74, 905 (August, 1997)

• ACD Labs also produces software that predicts Fluorine, Phosphorus, and 2D NMR, and database management products for Mass Spec, optical, and NMR data.

Bio-Rad Laboratories, Sadtler Division

• ChemWindow Suite 5.1 structure drawing software
• Windows95 or NT; versions for Windows 3.1 and Macintosh are also available
• Price unavailable; free demo

Brooks/Cole Publishing Company

• Beaker: An Expert System for the Organic Chemistry Student
• Brockwell, Joyce C., John H. Werner, Stephen J. Townsend, Nim H. Tea, and Elizabeth A. Toon
• 1995
• Macintosh and Windows versions
• 0-534-15973-7 (Macintosh);0-534-13410-6 (Windows)
• $64.95

• Organic Chemistry Online - CD ROM with workbook
• Paul R. Young
• 1999
• Windows and Macintosh hybrid
• 0-534-35787-3
• $21.95

• Organic Chemistry Toolbox 1998 (CD-ROM)
• Norbert J. Pienta and Robert Kessler
• 1998
• Windows and Macintosh hybrid
• 0-534-35207-3
• $21.95

The Eureka Group

• Multimedia Organic Chemistry
• Mac and Windows
• $56.25 for personal license; site licenses available

Falcon Software

• Organic Reaction Mechanisms 2.0 CD-ROM
• Jeffrey R. Buell and Andrew F. Montana
• Mac and Windows versions
• $125.00 for a single workstation; $195-395 for networks

• OGRE -Organic Reaction Drills 1.0
• Victor I. Bendall
• Mac and DOS
• $75.00 for individual copies; $290 for network; student version is also available

• Introduction to Organic Chemistry
• Stanley G. Smith
• DOS, Macintosh and Apple II versions
• $280 for individual license; $695-995 for networks; student version available

• Organic Chemistry Laboratory
• Stanley G. Smith
• DOS
• $95.00 for single user; $385 for networks; student version available

• Jayhawk Organic Chemistry Programs
• John A. Landgrebe
• DOS and Macintosh versions
• $75.00 for individual copies; $290 for network

• SpectraBook 1.0 (Windows) and SpectraDeck 2.2 (Mac)
• Paul F. Schatz
• Macintosh and Windows versions
• $150 for individuals; $395-595 for networks; student version available

• IR and NMR Simulators 1.0/2.0
• Paul F. Schatz
• Mac and DOS (Windows compatible) versions
• $75 (IR) and $95(NMR) for single workstation; up to $945(NMR) for network version with data disks

• OChem 1.1
• Joseph Casanova
• Macintosh
• $195 for individuals; $495 for network

Hypercube, Inc.

• Hyperchem Lite is an academic version of the more powerful Hyperchem 5.1. It does molecular modelling, including quantum mechanics, molecular mechanics, and molecular dynamics.
• Windows
• Academic price: $49 for on-line purchase

• HyperNMR calculates NMR spectra from structures.
• Windows
• Price unavailable

Interactive Simulations, Inc.

• Sculpt, a molecular modelling package for Windows, Mac, or SGI
• Windows, Mac, or SGI platforms
• $600 academic price for Windows or Mac; $900 for SGI version

Jones and Bartlett Publisher (Exeter Multimedia)

• Mechanisms in Motion - Organic Chemistry Animations v 1.5
• Bruce H. Lipshutz
• Windows and Macintosh versions
• $395; student version $35.00
• Reviewed in Journal of Chemical Education 75, 980 (August, 1998)

Journal of Chemical Education: Software

• WinDNMR: Dynamic NMR spectra for Windows; HPLC for Windows, A Computer Simulation (Volume 3D, number 1)
• Windows
• $60 for the right to make up to five copies (this copying policy applies to all of the JCE Software titles)

• PCNMR4Windows (Special Issue 7)
• John M. Bemis
• Windows
• $250

• Organic Nomenclature (6C, 1)
• David B. Shaw
• Macintosh
• $60

• Proton NMR Spectrum Simulator (2C, 1)
• Kersey A. Black
• Macintosh
• $60

• COS: Organic Reaction Drills Based Upon Collective Organic Syntheses (9B, 1)
• Victor I. Bendall
• DOS
• $60

• Alkimers (6B, 1)
• Richard R. Hiatt
• DOS
• $60

• HPLC: A Computer Simulation of High-Performance Liquid Chromatography (1B, 2)
• Robert C. Rittenhouse
• DOS
• $60

• Proton NMR Basics (Special Issue 11)
• Carolyn Sweeney Judd, Joel D. Morrisett, Mohan V. Chari, and Jeffrey L. Browning
• IBM and Macintosh CD-ROM
• $60

New River Kinematics, Inc.

• MoluCAD
• A molecular modeling and visualization tool for for both Power Macintosh and Windows95/NT users.
• Introductory price for CD-ROM is $35.00 + 4.95 S&H. Volume discounts.

Oxford Molecular Group

• Cache Products "Desktop Chemistry for Experimental Chemists"
• This suite of products provides a large variety of tools for chemistry, including molecular visualization and modelling, energy minimization, property prediction, and others.
• Macintosh Quadra or PowerPC and Windows95 or WindowsNT
• Priced per module, differing for platforms. Academic discounts.

Scivision

• Alchemy 2000
• This package does conformational searching, molecular dynamics, MM3, intermolecular interaction, and molecular docking
• $995 (version 2.0) for academic users

Synopsys Scientific Systems

• Accord for Excel, Accord for Access, products that make spreadsheets and databases "chemically aware".
• PC, and Windows95, Macintosh
• Academic prices of $395 for Excel, $595 for Access

Trinity Software

• Chem TV and Chem TV II CD-ROMs
• Betty Luceigh and Phuong Ngo maintain a Web page on this product
• Macintosh and Windows
• $495 (I) and $595 (II); $995 for both

• Introduction to Spectroscopy: IR, NMR, CMR, and Mass Spec
• Fred W. Clough
• DOS or Macintosh
• $150

• Mechanisms in Motion - Organic Chemistry v1.5
• Exeter Multimedia
• Windows or Macintosh
• $395

• Molecules - 3D
• Molecular Arts Corp.
• Windows or Macintosh
• $69

• NameIt
• John Figueras
• Windows
• $150

• OrgTutor: Substitution/Elimination Reactions
• Leroy Butler
• DOS/Windows only
• $75

• Spectral Interpretation: A Classroom Demonstration Program
• Donald L. Pavia
• DOS only
• $125

• SQUALOR and MacSQUALOR
• Donald L. Pavia and Fred W. Clough
• DOS or Macintosh
• $165

• SynTree 3.0: A Program for Exploring Organic Synthesis
• John Figueras
• DOS/Windows or Macintosh
• $195

John Wiley & Sons

• ChemGraphics 2.0: Computer Graphics for Organic Chemistry
• D. Woodman
• 0-471-17285-5 (Mac);0-471-17281-2 (Dual)
• Macintosh or Windows/Mac dual
• 1996
• $99.95

• Organic Chemistry, 6th Edition CD
• T. W. Graham Solomons and Darrell Woodman
• 0-471-17285-5
• 1997
• $84.95

Wavefunction, Inc.

• Spartan, PCSpartan, and MacSpartan.
• Molecular modelling software
• Versions for PCs, Macs, and mainframes
• Academic prices from $299 up

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