Building Structures
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ChemOffice Ultra 2005 v.9.0 (Commercial) Estimates of density, refractive index, molar volume, etc. The author of the site is constantly improving and adding features. It includes a powerful molecular graphics viewer with excellent rendering. While many of the tools would be most useful at the university level, there are a few sketch and visualization tools that would be quite useful at the high school level as well. The online software allows the student or teacher to simulate many laboratory activities. Acid base titrations, buffer chemistry, limiting stoichiometry of reagents, and solution equilibria are just some of the simulations that are possible with this software. And most importantly, this set of tools is in one common interface, so it's easy to learn and easy to transfer data from app to app. |
The ChemOffice Ultra chemistry suite consists of several programs
– chemdraw,Chem3D, ChemFinder, ChemFinder for Office.1. ChemDraw
– the most famous and popular program created specifically for building structural formulas of organic and inorganic substances. Contains a built-in periodic table, creates calculated NMR and PMR spectra for various substances, generates the names of substances according to their structural formulas, contains an extensive database of chemical structure templates.2. Chem3D – a program for creating and viewing three-dimensional chemical structures, has a built-in ChemDraw plugin, which allows you to build a three-dimensional chemical structure using a structural formula written on the screen. In addition, the program calculates the physical properties of chemical structures using various quantum chemical methods (MM3, MOPAC, the Hückel method, etc.).
3. ChemFinder – a program that allows you to view and create databases of chemical structures.
4. ChemFinder for office – it is a very handy tool for finding chemical structures in documents Microsoft Office (*.rtf, *.doc, *.xls etc.), files of chemical structures. Supports many of the most common formats, easily finds any chemical structure on your computer.
It offers flexible high quality rendering and a powerful plugin architecture. It is a program for drawing orbitals. Draw any atom, any molecule, create an animation, make cutouts, show places where the probability will be zero. The chemical thesaurus is a web-based relational database that stores information about many chemical processes: radiochemistry, phase change, resonance structure interconversion, interchangeable conformation, one-electron transfer, complex formation, substitution-transfer-transfer, redox reactions, photochemistry, rearrangements , multi-step mechanisms, synthetic pathways, simple biosynthetic pathways, etc. etc. etc. application software is highly hyperlinked.
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ChemWindow 5.1 (freeware) / 6.0 (Commercial) |
The installation kit contains four programs
– chemwin, SymApps, ChromKeeper, IRKeeper.1. ChemWin
– program for creating structural formulas. Can automatically convert acyclic carbon chains to structural formulas with signatures and vice versa. Based on the structural formula, ChemWin determines the molecular formula, mass composition of the compound, etc. It contains a fairly good library of laboratory equipment (in the ...\ChemWin\Libraries folder) and a library that contains many chemical structures.2. SymApps – program for viewing volumetric and ball-and-stick models of molecules. Various symmetry elements are clearly visible - axes, symmetry planes, etc., which is not, for example, in Chem3D Ultra. The program can calculate character tables, determine point groups of molecules.
3. ChromKeeper, IRKeeper – programs for working with experimental spectra.
In each case, the software also calculates the appropriate solutions and displays them when prompted. Problems and solutions can be printed in pre-formatted text files, which allows you to prepare personal lists of problems of any length and complexity. Various levels of difficulty can be selected from basic to advanced. When a level is selected, the software only shows difficulty problems that are lower than or equal to the difficulty level of the selected level.
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Chem Draw Pro 11.0.1 (Commercial) |
ChemDraw Pro 1 1.0.1
– a well-known program that allows you to build any chemical structures. Contains a built-in periodic table and many patterns of chemical structures.Modern version ChemDraw Pro has several visual styles (so-called Topics), including I_Draw Style, reminiscent of the well-known ISIS/Draw program (see below). You can change the theme in the program options.The level can be changed at any time. Topics covered: Basics; Elements and connections; stoichiometry; Gases, solids and liquids; Solutions; Thermodynamics and kinetics; Chemical balance; Electrochemistry. AT software there are a number of useful tools such as advanced calculator, charting tool, balancing chemical reactions and a visualizer of simple molecular structures.
It also includes some simulations of idealized lab experiments and several Games designed to help take into account the fundamental concepts of Chemistry as well as test the level of learning achieved. It's easy to use and has everything you need when you're calculating or parsing a formula.
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Symyx Draw 3.1 (FreeWare) |
Symyx Draw n is a carefully revised and redesigned ISIS/Draw program (see below). Symyx Draw saves files in formats*.skc, *. mol , *.smi , as well as *.bmp, *.png, etc. Automatically generates substance names (according to IUPAC nomenclature). The program has one unique feature that is not available in other drawers - it allows you to create custom templates on the toolbar. Draw a molecule and simply drag it to the panel, double click on the icon - a window will open in which you can set necessary settings- the name of the template, "extreme" atom and bond attached to another molecule (by clicking on it).
Launch and working window of the program
An excellent program that requires only 5 megabytes of your hard drive. Whether you're a professional chemist, just doing chemistry at school, or just curious about the composition of citric acid, this add-on is an exciting way to bring chemistry to your computer. Note that the current version is still in beta, so only use it if you're more comfortable with beta versions.
This will open the download in your default browser. This time you can easily install it with default options. Now you will have new inset"Chemistry" in the tape "Word". You can quickly insert a graphic diagram from the chemistry gallery. Or you can paste the formula from a file.
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ISIS Draw 2.4 / 2.5 (FreeWare) |
Absolutely free program for drawing structural formulas. The files are saved in the *.skc (ISIS/Draw Sketch) format, which is easily recognized by the ChemDraw program. In turn, using the ChemDraw program, it is easy to save the file in the format
ISIS/Draw . Thus, there is no data loss, which is very important when transferring structures from one format to another (* .cdx -> *.skc ). Version 2.5 is similar to version 2.4, but contains no additions.You can also convert any chemical name to its chemical form. Some chemicals are automatically converted to a diagram in the document, while others simply link to it in the sidebar. In any case, you can display exactly what you want.
You can also convert a chemical formula directly to its chemical diagram. This directly converts it to a chart directly in the document. Here are the options for potassium permanganate. You can then edit the names and formulas and add or remove any wishes.
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ChemPen 1.9.0.9 (ShareWare) |
Very easy to use program for drawing chemical structures. Structures can be copied to the clipboard and then pasted into Microsoft Word or PowerPoint documents. Useful for personal use(for creating abstracts, reports, presentations, etc.), but it is better not to use it for publications in scientific journals and publishing houses, since ChemPen does not support common formats (*.cdx and *.skc). It should be noted that the installation package is small (only 1.3 MB).
Rings and aromatic structures
Whether you use daily chemical formulas or whether you want to analyze chemical composition sometimes, this is a great way to do it with the tools you already have on your computer. It will also help make homework a little easier if you struggle with it in high school or college.
Writing a formula from scratch
The Equation Type Here field appears with the basic sample formula. Note that the purple Equation Tools tab also opens. Proton. Zhakos. Shimanout. Herzberg. Organometallic thermochemical data collected by J. Martino Simoes. Subscript emphasizes and distinguishes letters and numbers from the rest of the text on the line.
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ChemSketchv. 12.01 (FreeWare) |
Russian version absolutely free program for drawing chemical structures. It has a user-friendly interface consisting of two windows: " Structure" and " Picture". The first window is for depicting structures, the second is for drawing chemical reactions and various schemes. The program contains a very handy table of radicals, templates of rings, chains and functional groups, and other tools. In many ways, the program is not inferior to ChemDraw and
ISIS/Draw, can save files in both formats - ChemDraw Document (*.cdx) and Sketch ISIS/Draw (*.sk c). In addition to ChemSketch, the installation package also includes a 3D Viewer - a program that allows you to create three-dimensional models of molecules.Enter the text you want to be the index. Select the text to be indexed. Adjust the index depth by entering a specific offset percentage in the Font dialog box. Negative numbers - index; positive numbers are superscript. . James T Wood is a teacher, blogger and author. His work experience spans the world of computers, from sales and support to training and repair.
It is important for a chemist to describe compounds or particles in a shortened form or their spatial arrangement. Depending on what information is needed for the structure of the particles, various types of chemical formulas have been developed over time. Using different formulas, it is possible to model only the stoichiometric composition or the complete spatial structure of the molecule. In the order of sum form → structural formula → stereoform, the information content also increases the complexity of the representation.
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CarboDraw 1.0 (FreeWare) |
A special program designed to build cyclic structures of carbohydrates (mono-, oligo- and polysaccharides). Monosaccharides can be linked in chains, forming a polysaccharide of a given composition. Any monosaccharide can be represented as a D or L isomer. There is a possibility of choosing numerous substituents (instead of hydroxyl groups and hydrogen atoms). The names of monosaccharides are set automatically, they can also be edited manually.
The overall formula of an organic compound is the composition of a molecule from individual atoms. This is a series of symbols of the elements involved in the construction of this connection. If the number of individual atoms is greater than one, it is indicated by index numbers on the corresponding symbol. The sum formula is the simplest formula that expresses the stoichiometric composition of molecules. The sum formula does not say anything about the nature of the bond of individual atoms. Relative molecular weight and percentages of elements can be calculated using the sum formula.
Radicals and groups of atoms
The terms "rough formula" or "empirical formula" can sometimes be found as synonyms for the sum formula. The detailed structural formula, also the constitutional formula or the valence dotted formula, is much more significant. It shows the bond of individual atoms in a molecule. Atoms connected by common electron pairs are connected with so-called valence lines. Double bonds are represented by two triple bonds with three valence lines. Free, i.e. non-bonding electron pairs are drawn as "transverse".
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A task.
Complex organic formulas are quite laborious in drawing them with the usual WORD methods. To solve this problem, special chemical editors have been created. They differ in specialization and their capabilities, in the degree of complexity of the interface and work in them, etc. In this lesson, we should get acquainted with the work of one of these editors by preparing a document file with the necessary formulas.General characteristics of the ChemSketh editor
Chemical Editor ChemSketch from the ACD / Labs software package of the Canadian company "Advanced Chemistry Development" in terms of functionality is not inferior to the ChemDraw editor and even surpasses it in some ways. Unlike ChemDraw (memory size 60 megabytes), ChemSketch takes up only about 20 megabytes of disk space. It is also important that the documents created using ChemSketch take up a small amount - only a few kilobytes. This chemical editor is more focused on working with organic formulas medium level of complexity (there is a large library of ready-made formulas), but it is also convenient to compose chemical formulas of inorganic substances in it. It can be used to optimize molecules in 3D space, calculate distances and bond angles between atoms in a molecular structure, and much more.
Since the structure of functional groups in all compounds is the same, they have simplified structural formulas. shortened shown in the picture. This applies to nitro, amino, aldehyde and carboxy. Whole building blocks such as ether can also be reduced. A typical example is the methoxy or ethoxy group. In the simplified structural formula, the representation of pairs of free electrons is also omitted.
Even more simplified are the skeletal formulas that are common in organic chemistry. Only the zigzag structure of the carbon skeleton and the functional groups in the molecule are shown here. With the help of stereochemistry, organic chemists illustrate the spatial arrangement of substituents, especially different hybridized carbon atoms. The classic stereo formula works with wedges and dotted lines for single links. An atom with a wedge always leaves the paper plane. The dotted snap always goes to the paper plane.