ACDLAB~1: Demo versions of ACD Labs commercial programs:
ADDONS includes ACD/Dictionary, ACD/Tautomers and CD/BoilingPointadd-on modules. They will work with all ACD/Labs demonstration programs.
ACD/ChemSketch is the ultimate chemistry drawing program: Simply click or drag to draw bonds of standard or arbitrary lengths and angles. Understands valence limits, and automatically places correct atomic charges and hydrogen numbers. Refines structures automatically to make them chemically correct and professionally presentable. Choose any predrawn template structure or create and use your own On-screen dynamics let you view freehand rotation, moving or scaling of selected atoms, bonds, or fragments. Multiple Undo and Redo options allow you to browse through the last 99 steps of a structure
drawing process.
ACD/CNMR calculates accurate 13C NMR spectra - in most cases
to ±3 ppm or better. Calculates spin-spin interactions, emulates off-resonance, DEPT, J-modulation and much more! Contains experimental data for over 18,000 structures! ACD/CNMR contains an internal data base of over 170,000 experimental chemical shifts. Increases the accuracy of predictions using a Self Training System: you can create your own data base of experimental spectra which will be automatically used to predict CNMR spectra for any new structures. Calculates spin-spin interactions, emulates different spectral modes off-resonance, DEPT, J-modulation).
ACD/HNMR calculates accurate Proton NMR spectra under any basic
frequency. The most accurate spectra are obtained in non-polar non-aromatic solvents. Generates spectral plots with exact line numbers, intensities, locations and assignments. Takes into account second order interactions (strong coupling effects) and long- range coupling constants. Emulates double resonance and plots integral curves. Contains experimental chemical shifts and J for over 45,000 structures! Quickly recalculates spectra using your own shifts and coupling constants. You can calculate exact spectra for any strongly coupled system with up to 8 magnetically non-equivalent nuclei (spin 1/2) or more if some nuclei are magnetically equivalent. Emulates
experimental conditions - allows you to specify spectrometer frequency
and line widths. ACD/HNMR contains an internal data base of over 180,000 experimental chemical shifts and 25,000 coupling constants for 45,000 structures. Increase the accuracy of your predictions using a Self Training System that allows you to create your own data base of experimental spectra that will automatically be used to predict HNMR spectra for new structures.
ACD/LogP calculates accurate logP (Octanol/Water partition coefficients)- in most cases to ±0.3 or better! Corrects tautomeric forms, provides pKa ranges, emulates retention on RP HPLC columns and RP TLC plates. Contains over 5,000 experimental logP values. Also useful in estimating extraction coefficients, solubility & many other properties that correlate with logP! ACD/LogP also provides pKa ranges, emulates retention on RP HPLC columns and allows you to estimate transport, toxicity & many other properties that correlate with logP.
ACD/Name generates accurate systematic names according to IUPAC
rules for almost any organic structure. It has the following features:
In many cases, IUPAC rules allow several alternative names for the same structure. ACD/Name generates all of them within the Nomenclature Procedures specified below. Assigns nomenclature numbers to all atoms in the structure. Assigns structural fragments to the corresponding portions in the generated name and vice versa, so that you can see how the systematic name has been obtained. Each generated name is provided with the logical scheme ("tree") showing the sequence of application of different IUPAC rules and allowing you to view the exact wording of each IUPAC rule used. Each IUPAC rule is provided with examples of its application allowing you to learn more about IUPAC naming rules.
ACID-B~2: Acid-Base Equilibrium Calculator allows you to calculate the pH value and speciation of an aqueous acid/base solution; to apply activity corrections to the acid/base calculations; to plot and manipulate various speciation diagrams, titration curves, buffer capacity plots, and bound-proton diagrams; and to determine the end-point(s) of an acid/base titration curves. A special Bound- Proton Method is used for the numerical acid/base calculations and exact results are obtained within computer iteration errors.
ADOBEA~1: Adobe Acrobat Reader (16 bit).
ADVENT~1: Adventures of SciMan is an adventure is a puzzle solving game which draws on the chemical knowledge of the player. Use the right chemicals to help Sci- Man get to the next screen.
AUTODE~1: AutoDesk Animation Player plays animation Files in
Windows.
BABEL: Babel is a program that implements a general framework
for converting between file formats used for molecular modeling.
BOLTZM~1: Demonstration of Boltzmann distribution.
BONDIT: Bondit is designed to give the introductory chemistry
student practice is doing Lewis electron dot formulas for molecules that follow the octet rule. After completing the correct Lewis formula a 3-dimensional structure that can be rotated is presented.
BROWNI~1: Brownian Motion Simulation provides a simulation of
this effect for different media on the computer screen as well as derivation of the Avogadro constant from statistical investigation of the motion itself.
BUFFER~1: Buffer Calculator allows you to choose the type of
buffer that you would like to prepare, enter the pH desired when prompted and the volume. The directions for preparing the buffer will appear on screen.
CACAO: Computer Aided Composition of Atomic Orbitals is two basic programs, EHC for extendedHückel calculations and CACAO for graphic results.
CALCUL~1: Calculator is a pocket calculator simulator program for
the Windows operating system. It is a replacement for the calculator program which is included with the operating system, with many additional features and advantages. Many users of Windows have never really made use of the calculator, and in recent years there have been a number of developments in real hand-held calculators and we now expect a lot more from these invaluable devices.
CALM: CALM is a program for iterative analysis of high resolution NMR-spectra for IBM-PC and compatibles. CALM is based on LAOCOON-type algorithm which may be represented as following: choosing of spin system type and spectral parameters starting values (for chemical shifts, spin-spin coupling constants, spectral width); simulation of theoretical spectrum; assignment of theoretical lines to experimental ones; minimization of frequency differences between experimental and theoretical lines through varying the user-defined
computer sub-set of spectral parameters. CALM allows to simulate and analyze spectra of nuclear spin systems of up to 8 magnetically nonequivalent nuclei (spin 1/2) or magnetically equivalent groups. For weakly coupled nuclei X-factorization may be used.
CAMBRI~1: CambridgeSoft Products:
CS ChemOffice Net is used in conjunction with a web browser (e.g., Netscape, Mosaic) to view and print chemical information. ChemOffice Net is comprised of two components: ChemDraw Net and Chem3D Net. ChemOffice Net also serves as demonstration versions of ChemDraw Pro and Chem3D Pro.
CS ChemDraw Net is an application for viewing and printing 2
dimensional chemical structures. You can create you own structures for
searching web databases (e.g., http://www.camsoft.com), and you can view and print results. ChemDraw Net can also open and print any ChemDraw file, so it can be used to view work published by colleages in the ChemDraw format (ChemDraw is the world's most popular chemical drawing package!).
Chem3D Net enables you to view, rotate, and print 3 dimensional
molecular models in a variety of formats and views (e.g., wireframe, spacefilling, ball and stick). Chem3D Net also allows you to build three dimensional models as a demonstration of the capabilities of Chem3D Pro. You can not save or print newly created models, but you can print models obtained from the web or read in from disk. The web server at http://www.camsoft.com contains thousands of three dimensional molecular models for free download.
ChemFinder Net is a chemical information browser that also serves as a demonstration of CS ChemFinder Pro. With ChemFinder Net you can search and browse Chemfinder databases (such as the NCI databases supplied on this CD-ROM), but you can not create new databases, nor export data.
A multimedia demonstration of CS ChemOffice is in the MULTIMDA
directory. Simply launch the CSDEMO.EXE file in this directory. The demonstration will run directly from the CD-ROM.
ChemInfo Std also includes the CS ChemFinder server database,
a collection of several thousand compounds and names.
CS ClipArt Std; ChemDraw Pro has the ability to add artwork to
its templates. The free Clipware on this CD-ROM allows you to add (freely) glassware and other popular laboratory devices to your ChemDraw drawings. Clipware requires ChemDraw Pro 3.5 or later.
Back issues of the CS Catalyst are located in the CATALYST directory of the CD-ROM. CS Catalyst, the leading collaborative computational chemistry magazine, is available in PDF format on the CD-ROM. In order to view PDF files, you need Adobe Acrobat Viewer. An installer, ACROREAD.EXE, is located in the Catalyst directory of the CD-ROM.
Datasheets of CS products are located in the DATASHTS directory
of the CD-ROM. Datasheets are PDF files of CambridgeSoft's product datasheets. The datasheets are viewable using Adobe Acrobat Viewer. The file ACROREAD.EXE will install Acobat Viewer, and is on the CD-ROM in the DATASHTS directory.
CS TechNotes are located in the TECHNOTE directory. This is a
collection of technical support notes for CambridgeSoft's products. To
view these files refer to the "README.TXT" in the TECHNOTE directory.
CASCADE: Cascade 2: A shell, that allows conversion and visualization of outputs from semiempirical calculations.
CATALOG: Database[Russian] for catalogization and searching of software according to its type, title and other keys.
CHEMFONT: ChemFont contains TrueType and Type 1 PostScript font
images for helping to prepare documents containing chemical formulae and symbols. As a bonus, atomic weights are available through two key macro recall; and fundamental constants with units are included. A freeware macro program called COMPOSE, from Digital Equipment Corporation, is enclosed along with a macro template to make the use of this font easier.
CHEMIC~1: Chemical Helpfile is an electronic reference source
covering such topics as nomenclature, compound indentification, properties, structure determination, synthesis, toxicity, registry numbers and more.
CHEMIC~2: Chemical Calculator for Windows adds MW() (molecular
weight) and %() (percent composition functions along with a flexible and expandable numerical constant database and an efficient simple equation-solver for equations such as x^2/(.1-x)=0.001 in acid/base and solubility problems. Constants include Ka, Kb, Ksp, and general chemistry-related.
CHEMIC~3: Chemical Synthesizer is designed for the introductory
chemistry student. It provides a graphical animated representation of the major types of chemical reactions giving the student a conceptual view of what is going on at the atomic level.
CHEMIC~4: Chemical Speciation is a DOS programme written in C
language for computing the speciation of major ions in seawater.
CHEMIC~5: Chemical and Symbol Fonts is a collection that contains a hebrew font with 872 kerning pairs and a greek font with 311 kerning pairs in normal, semibold, italics and semibold-italics. It contains also five sets of warning symbols.
CHEMIC~6: Chemical Name Quiz Maker is designed for the teacher
making up quizzes dealing with practice in writing chemical names and formulas which can be tedious and time consuming. This program allows the teacher to create quizzes instantly without using a word processor. Each quiz will be randomly generated so it is not very likely that two quizzes will be identical. For the student learning how to write chemical names and formulas can be difficult. This program provides the student with practice in learning the symbols and charges of various ions along with writing names and formulas of compounds containing these ions.
CHEMIC~7: Chemical for Windows; atoms are selected from a Periodic Table and electron orbital information retrieved. The Atoms are then bonded. 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. If desired the Hybrid and Ionize commands can be used to alter the orbitals before bonding.
CHEMIS~1: Chemistry Macros for Word 7 is a collection of quite
useful macros for your daily work as Chemist. And even if you aren't a
Chemist, you might like some of them. The Chemistry macros are designed exclusively for use with Microsoft Word for Windows 95 (Version 7.0). The main macro of the this collection, Insert Chemical Equation, allows you to easily insert chemical equations into your texts. It automatically formats subscripts and superscripts, meaning that you don't have to do it painstakingly by yourself anymore!
CHEMIS~2: Chemistry Reference Library will provide detailed information for all 106 elements which may be updated using an ASCII type word procesor. Provides a listing of special solutions and reagents as well as procedures and formula to properly create the result mixtures. Provides basic information of the atomic groups and their distinct traits. Provides a glossary for common Chemistry and Physics terms. Provides an extended function calculator. Provides a prime number reference system.
CHEMIS~3: Chemistry Icons; a collection of icons for Windows
relating to chemistry.
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