Organic Chemistry SOFTWARE

Organic Chemistry - Wins   Mac Single User Shipped in 9 days Cat.# MCH-3 $150.00 ADD TO CART Site Licence Shipped in 9 days Cat.# MCH-3SL $470.00 ADD TO CART

This interactive tutorial package introduces the basic concepts of Organic Chemistry covered in introductory college level Organic Chemistry courses.

Teachers can use this program as a demonstration and visualization tool in their classroom lectures. They can draw from the various interactive exercises to explain concepts that may be difficult to show using a traditional blackboard or overhead projector. By switching off the audio, teachers can present ideas in class in their own way.

Students can use the program as an exciting learning tool that can supplement in-class lectures and textbook studying. They can use this program as a self-study tool to review topics they are having trouble understanding in order to prepare for lectures and exams.

The program takes advantage of multimedia technology to present teachers and students with a new way of approaching and understanding the challenging concepts and ideas found in Organic Chemistry.

• Easy to use table of contents, glossary and key word searches
• Flexible plotting, drag and drop exercises
• Convenient pull down calculator, glossary, note pad, periodic table and many tables of useful data
• Quizzes with step-by-step feedback
• Hundreds of interactive movies and animations
• Many concise voice comments by Dr. Bryan Sanctuary emphasize the key ideas that students need to understand
• Designed to accompany any text
• Over 200 hours of study material on each CD

Table of Contents
Overview of organic chemistry, Stereochemistry, Chemical bonds and hybridisation, Acid-base reactions, Organic reaction types, Nomenclature, Functional group chemistry, Alkenes, Alcohols, Ethers, Aromatic compounds, Aldehydes and ketones, Carboxylic acids, Amines, Biochemistry

Carbon and It's Compounds - Wins 20 User Licence Shipped in 7 days Cat.# AVP-11L1 $150.00 ADD TO CART 30 User Licence Shipped in 7 days Cat.# AVP-11L2 $190.00 ADD TO CART 40 User Licence Shipped in 7 days Cat.# AVP-11L3 $230.00 ADD TO CART

Carbon and It's Compounds - is the seventh part of this nine title series covering the material required for students aged 13-16. The occurrence of carbon, and its compounds, in nature and industry is explained in easy to relate to ways using many examples, films, illustrations and contemporary media - enabling the pupil to learn and recall the material more effectively.

Contents:

• Carbon in nature
• Alkenes - saturated hydrocarbons
• Ethane - a non-saturated hydrocarbon
• Ethane and its properties
• and much more...

Hydrocardon Derivatives - Wins 20 User Licence Shipped in 7 days Cat.# AVP-14L1 $150.00 ADD TO CART 30 User Licence Shipped in 7 days Cat.# AVP-14L2 $190.00 ADD TO CART 40 User Licence Shipped in 7 days Cat.# AVP-14L3 $230.00 ADD TO CART

Hydrocarbon Derivatives - is the eighth and penultimate part of this nine title series covering the material required for students aged 13-16. Alcohols, acids and detergents are the main topics of this CD ROM lessons. Various experiments, support by multimedia presentations, make the subject much more interesting and easier to follow.

Contents:

• Alcohols - derivatives of hydrocarbons
• Carboxylic acids
• Reaction between acids and alcohols
• Soaps and detergents
• and much more....

Chemical Compounds - Wins 20 User Licence Shipped in 7 days Cat.# AVP-12L1 $190.00 ADD TO CART 30 User Licence Shipped in 7 days Cat.# AVP-12L2 $260.00 ADD TO CART 40 User Licence Shipped in 7 days Cat.# AVP-12L3 $300.00 ADD TO CART

Chemical Compounds in food and everyday life - is the ninth and final part of this nine title series presenting the material required for students aged 13-16. Food consists of many elements, which are meticulously explained by the material on this CD ROM. Each type of food, as well as food elements? usage in other areas, is explained via video media chemical experiments and presentations.

Contents:

• Chemical food ingredients
• Fats and their properties
• Detection of proteins
• Starch
• Cellulose
• Nicotine, alcoholism and drug addiction
• and much more...

Aqueous Solutions - Wins 20 User Licence Shipped in 7 days Cat.# AVP-37L1 $150.00 ADD TO CART 30 User Licence Shipped in 7 days Cat.# AVP-37L2 $190.00 ADD TO CART 40 User Licence Shipped in 7 days Cat.# AVP-37L3 $230.00 ADD TO CART

Aqueous Solutions - is the third part of this nine title series covering the material required for students aged 13-16. Water is the main component of life on Earth. Attractive informative presentations explain its role, characteristics and importance to students, as well as covering the topics of solubility and crystallisation.

Contents:

• Water: a compound of hydrogen and oxygen
• Solubility and the concentrations of substances in solutions
• and much more...

Acids and Hydroxides - Wins 20 User Licence Shipped in 7 days Cat.# AVP-9L1 $210.00 ADD TO CART 30 User Licence Shipped in 7 days Cat.# AVP-9L2 $280.00 ADD TO CART 40 User Licence Shipped in 7 days Cat.# AVP-9L3 $340.00 ADD TO CART

Acids and hydroxides - is the fourth part of the nine title series covering the material required for students aged 13-16. Different kinds of acids can be created in many ways and this CD ROM video presentations explain how to make an important selection of them, which along with useful simulations and 3D models make the subject easy to comprehend and recall for students.

Contents:

• Oxygen acids
• Binary acids
• Hydroxides
• and much more...

HMO: Huckel Molecular Orbital Calculator - Wins Single User Shipped in 2 to 7 days Cat.# TS-5 $220.00 ADD TO CART 5 User Licence Shipped in 2 to 7 days Cat.# TS-5L1 $640.00 ADD TO CART 10 User Licence Shipped in 2 to 7 days Cat.# TS-5L2 $1,060.00 ADD TO CART

HMO allows you to focus on the results of the Hückel calculations, rather than getting bogged down in entering data.

To use HMO you draw the structure you want to investigate using the simple built-in drawing tools. The program then analyzes the structure, separates the pi electron network, performs the Hückel calculations and displays the results, including total pi energy, pi electrons, LUMO and HOMO energy and orbitals, charge densities and pi bond orders. Data may be printed.

Version 3.0 offers:

• Drawing tools in an easily accessed palette.
• Jacobi matrix diagonalization has been replaced by a Givens-Householder version, with a four- fold increase in computational speed.
• Inclusion of the iterative Omega technique for more advanced computation.
• Automatic file compression following deletion of a structure.
• Maximum pi-system: 100 orbitals.
• Structures may have as many as 128 atoms.
• Heteroatoms B, O, N, F, I, Cl, and Br are fully supported, but only P-orbitals are considered for sulfur.
• The default set of parameters is taken from Molecular Orbital Theory for Organic Chemists by Streitweiser (John Wiley & Sons, 1961) with Auxiliary Inductive Parameters included.
• A zero-order set is built into the program.

Identification of Organic Compounds - Wins Single User Shipped in 2 to 7 days Cat.# TS-6 $280.00 ADD TO CART 5 User Licence Shipped in 2 to 7 days Cat.# TS-6L1 $690.00 ADD TO CART 10 User Licence Shipped in 2 to 7 days Cat.# TS-6L2 $1,120.00 ADD TO CART

sing the same methods found in Dr Pavia's award winning SQUALOR, this new program is a simulation of the students' qualitative organic analysis laboratory experience. 

Identification of Organic Compounds contains everything found in SQUALOR in a Windows interface, and these new features:

• 50 additional new unknowns
• On-Screen notebook for students to keep track of their work
• IR, NMR, CMR and MassSpec spectra
• Student management system and Unknowns Editor

Students select or are assigned one or more unknowns from 11 functional groups. Then they perform tests, choosing from 24 classification tests and 18 derivative forming reactions. Physical data and elemental analysis are provided and spectral information is also available many of the unknowns. Tests are reported as observations and students must determine the implications of the results.

The lab simulation allows students to work on a greater number of unknowns in a shorter period of time. The simulation improves students' lab efficiency, and there's no danger, breakage, and no cost for purchasing and disposing of chemicals.

For the instructor there's a student management system, utilities for editing the unknowns, the ability to assign students specific unknowns and to randomise the unknown list.

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The tutorials and quizzes in this popular program help students develop logical strategies for analyzing and interpreting spectral data. They are ideal for remedial study, lecture demonstrations, or to review the fundamentals of spectral analysis

The IR section begins by dividing a spectrum into six areas. These areas are then examined for the presence or absence of absorption bands, which in turn indicate the presence or absence of particular functional groups. Tutorials on vibrational modes and typical absorption curves are used to reinforce the principles of IR spectroscopy.

NMR lessons focus on solvents and measurements, proton equivalence, structural effects on chemical shifts, isotropic and anisotropic effects of chemical shifts, and first order spin-spin coupling. Students learn how to look at a structural formula and estimate the chemical shift ranges for each of the protons or, given a molecular formula and spectrum, identify the structure.

In the CMR lessons students first examine the characteristic chemical shifts in C-13 spectra. Then they learn how to predict the spectrum from a structure, or the structure from its spectrum.

Mass Spectroscopy begins with a brief tutorial on electron impact (EI) mass spectroscopy and an overview of spectrum analysis. Fragmentation principles are then explored, and the program introduces a five-step approach to analyzing a mass spectrum.

Each of the four units has a final quiz in which students must identify an unknown spectrum.

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Mass Spectrum Analyzer

MassSpec is designed to help you eliminate the time-consuming and error-prone methods of correlating structure fragments to peaks observed in a mass spectrum.

Use the Tools Palette to build your structure and MassSpec then generates a database of fragments resulting from bond cleavages up to three at a time.

Enter a mass number from your spectrum or from the list the program has created. MassSpec then shows the fragments it has identified, and highlights them on your structure one at a time.

The program also displays information on isotope peaks, peaks arising from the gain or loss of one hydrogen, and relative isotopic abundances (M+1...M+20) for all non-isotopic fragments. Structures with a molecular weight of 9999 or less may be entered.

MassSpec recognizes and labels masses resulting from the McLafferty rearrangement. This function operates recursively so that if more than one rearrangement trigger is present, it produces masses arising from all possible rearrangements taken one, two, and three at a time. It will also operate on the so-called "McLafferty + 1" rearrangement.

If you work with proteins, the supplied extended database replaces the standard elemental database with a table containing the appropriate names and masses of amino acid residues. Instead of drawing a polypeptide structures you can enter the three letter designation. A utility program is included for creating additional databases for specific research.

Name It - Wins Single User Shipped in 2 to 7 days Cat.# TS-10 $280.00 ADD TO CART 5 User Licence Shipped in 2 to 7 days Cat.# TS-10L1 $690.00 ADD TO CART 10 User Licence Shipped in 2 to 7 days Cat.# TS-10L2 $1,120.00 ADD TO CART

Organic Nomenclature Study Program

NameIt provides students with practice naming organic compounds using IUPAC rules and drawing structures given the IUPAC name. The program includes problems involving 17 different functional groups.

The user chooses the mode (structure-to-name or name- to-structure) and the class of compounds and the program randomly selects ten unknowns from its database. Answers are checked for correct root, terminal, substituents, substituent order, locants, locant order and punctuation.

The program recognizes both 1979 IUPAC standard conventions and the 1993 IUPAC recommendations. The extensive help system provides a comprehensive discussion of both of these sets of rules. The package also includes a utility program for adding and editing names and structures.

Spectral Interpretation - Wins Single User Shipped in 2 to 7 days Cat.# TS-12 $280.00 ADD TO CART 5 User Licence Shipped in 2 to 7 days Cat.# TS-12L1 $690.00 ADD TO CART 10 User Licence Shipped in 2 to 7 days Cat.# TS-12L2 $1,120.00 ADD TO CART

Classroom Demonstration

Say you're lecturing on chemical shifts and how integrals can provide information about the number and type of hydrogen's contained in a molecule. You mention spin-spin splitting and then - with a few keystrokes or mouse clicks - you display the spectra, mark the triplet and quartet with splitting trees, measure integrations and enter them on the note pad. Then you display a series of screens that neatly summarize the n+1 rule.

It's that easy when you're using Spectral Interpretation!

Dozens of graphic screens loaded with information are built right into this easy-to-use program.

You can quickly alternate between IR and NMR spectra, measure coupling constants and integration curves on-screen, choose highlight and zoom options or dozens of other dynamic lecture aids.

The program is shipped with data and spectra for 186 organic compounds representing major functional groups and these unique features:

• Choose compound by name/functional group or as an unknown
• Toggle quickly between IR and NMR spectrum
• Display the structure. (For unknowns, structure is hidden.)
• Highlight any portion of the display
• Label structure and/or spectrum.
• Integrate NMR spectrum on screen
• Measure coupling constants.
• Show functional groups or structural fragments
• Display idealized splitting "trees"
• Store/recall notes for interpretation of each compound

SynTree v3.0 - Wins Single User Shipped in 2 to 7 days Cat.# TS-13 $310.00 ADD TO CART 5 User Licence Shipped in 2 to 7 days Cat.# TS-13L1 $710.00 ADD TO CART 10 User Licence Shipped in 2 to 7 days Cat.# TS-13L2 $1,140.00 ADD TO CART

Program for Exploring Organic Synthesis

SynTree provides a unique set of tools for exploring the intricacies of organic synthesis. To begin an exploration, a goal structure is entered using the structure drawing tools or selected from the Structure Library. SynTree then scans its database and presents all possible precursors. When a precursor is selected it becomes the new goal and the process is repeated, chaining backward to ever simpler precursors until a readily available starting compound is found.

Newly revised and updated for Windows - SynTree 3.0 provides an interesting, challenging way to review organic reactions. This latest version now offers:

• A completely new and highly visual interface
• Expanded database of transforms
• View all precursors at each branch of the synthesis tree
• Support for stereochemical transformations

For students, SynTree offers drill without boredom and encourages exploration of alternative synthetic pathways. As author John Figueras says, This program helps overcome users' mindsets and biases in synthesis formation. It is an organic chemist's version of fun... For the researcher, there are additional programs - Transform Entry and MakeList - that allow you to enter your own reactions transforms and to specify interferences and protected groups.

The new expanded database has more than 450 transforms - enough to cover the typical reactions that first year organic chemistry students are likely to encounter. To insure that only practical, efficient syntheses are displayed, you may give transforms that cleave carbon-carbon bonds in the retrosynthetic direction priority over those that only modify a functional group.

The real power of SynTree rests in its ability to learn the chemistry you want it to know. You can enter new transforms that reflect your teaching or research needs, and the variety of options available allow you to create highly specific transforms. With the Make List program you can create and edit lists of functional groups and assign them as interferences or protected groups for specific transforms. A set of examples is provided.