The Chemical Calculator program is used to quickly solve reaction equations from inorganic chemistry. In a few clicks you will receive a completely finished chemical equation with assigned coefficients. The operation of the program is similar to that of a mathematical calculator. That is, you found, clicked and received. A significant advantage of the program, which distinguishes it from other similar calculator programs, is a library of ready-made formulas of substances, which greatly saves your time. But the peculiarity does not at all interfere with the usual solution of equations.
Initially, it may seem that ready-made formulas only take up time, but this is not at all the case. You need to get used to the arrangement of all the formulas. But it won't take much time. All formulas that are in the program are sorted by activity and reaction classes. But if you cannot find a substance, then simply use the search function. If the calculator writes that “it does not react with this substance,” and you know the equations of these substances and reaction products, then it is possible to enter the equation into the application database. In the latest versions of the program, previously found flaws in the database have been corrected. The number of chemical reactions has more than tripled. About 360 new substances were added. When viewing an equation, information about the conditions under which the chemical reaction occurs is now available. A search function has also appeared, which was already mentioned earlier.
Computer programs for chemists.
Modern study of chemistry cannot do without the use of powerful software packages for modeling chemical processes, images of chemical formulas and diagrams, and chemical calculations.
Brief overview of the main programs.
Maple is a complete computer program for advanced mathematicians, developed in Canada by Maplesoft. As you know, a bad chemist is one who has problems with mathematics.
SigmaPlot is a convenient program for plotting. It will be especially useful for physical chemists who deal with processing a large amount of experimental data, and for anyone who wants to save their time and not build graphs manually.
This program allows you to model complex molecules without any extra effort on your part. Clearly shows the spatial arrangement of atoms. Calculates distances and angles between atoms
Chemical Equation Expert
If you have encountered organic chemistry or biochemistry, then you probably know what huge and cumbersome formulas are found there. To depict such formulas, there is a special program called ISIS DRAW.
Now let's look at these programs in more detail.
Maple is a complete computer program for advanced mathematicians, developed in Canada by Maplesoft. As you know, a bad chemist is one who has problems with mathematics. But a chemist has to deal with mathematics, whether he wants to or not. If you have difficulty calculating logarithms, integrals, etc., then Maple will help you solve some of your problems. It will also build graphs for you. Additionally, Maple has built-in functions and operations. Maplesoft's powerful software packages allow you to perform complex mathematical calculations, process simulations, and much more.
The operating principle of this program is similar to Mathematica. You can always view the operating instructions by calling help (ctrl+F1 keys).
In general, Maplesoft is a leading provider of high-performance software for the engineering and natural sciences. The range of software products is quite wide: software for engineering calculations, for educational purposes, for applied research, for automation, for the aerospace industry, for the energy industry, for electronics. Prices for the products of this company vary depending on your belonging to one or another category of buyers (student, commercial organization, university, public administration). It is also possible to purchase an individual and collective license to use this software.
For more information you can visit their website www. . The site does not have a Russian version - another reason to start learning English if you haven’t already.
SigmaPlot is a convenient program for plotting. It will be especially useful for physical chemists who deal with processing a large amount of experimental data, and for anyone who wants to save their time and not build graphs manually.
You may ask the question: "Why should I understand this program when I can quickly and easily create a graph in Excel?" Here, as they say, there is no friend according to taste. SigmaPlot in this case is provided as an alternative program for constructing fairly accurate graphs.
This program will be useful primarily to chemists involved in organic chemistry. If you are not well versed in programs such as "MOPAC", "HyperChem", etc., or this is the first time you have heard about them, then "ChemBio3D" was developed by Cambridgesoft for you. To work with this software, you do not need to be able to enter z-matrices of the starting geometry of molecules or have developed spatial thinking. It allows you to spatially represent complex molecules. Calculates bond lengths, angles between atoms and much more that the above-mentioned programs allow, but in this case without any effort on your part.
A molecule can be entered in 2 ways: directly in the working window with a spatial molecule or in the "ChemDraw" window, which is located to the right of the working window. You can view information on bond lengths and angles between atoms as follows: in the top toolbar Structure-> Measurements-> Generate All Bond Lengths/Angles
Chemical Equation Expert
If you experience certain difficulties with arranging coefficients in chemical equations (especially in OVR), then this program is created for you. Here you do not need to know either the electronic balance method or the half-reaction method. All you need to know are the reactants and products of reactions.
How to work with this program? In the left column where it says "Reactants", enter all the reagents one below the other. A separate line is allocated for each reagent. There is no need to write all the reagents on one line. In the second column, write down all the reaction products. Then press the "Balance" button. If everything is entered correctly, the message “Balanced it successfully!” will appear. To view the result, select "Results" in the top menu. Find your equation with the assigned coefficients. If you want to clear all results, click "Clear all". If questions arise, “Examples” provides ready-made reaction equations. By analogy with them, enter yours. Here are examples of entering molecules: Ca(OH)2, (CO3) (the charge sign is written after the value, and the charge itself is written in square brackets), H[+] (the value “1” is not written), CuSO4*5H2O (double salts, hydrated molecules are written in a similar way).
This program is convenient for arranging coefficients if the reaction products are known. And if the products are unknown, then it will not help you.
What other possibilities are there? It is possible to add equations to the equation library, which allows you to quickly find the required equation using "Search". There is a calculator that calculates the masses and quantities of substances. Select "Calculate" from the top menu. Select the desired reaction equation using the "Back" and "Next" buttons. The selected equation will appear in the window. And you calculate either the quantity or mass of the substance. You can also select the accuracy of the calculation.
If you have come across organic chemistry or biochemistry, then you probably know what huge and cumbersome formulas are found there. To depict such formulas, there is a special program called ISIS DRAW.
How to use it? If you need to draw a cycle, then select the required element in the control panel located at the top:
If you need, for example, to draw a single, double and triple bond, select a chemical element, put a + sign or draw an arrow, then select the required tool in the toolbar located on the left.
Let's look at each tool in this control panel.
If you hover over the first tool and, while holding down the left mouse button, move the cursor to the right, a set of tools will appear. All of them are used to select the required area, move it and resize it, both proportionally and in one specific direction. The first one is called lasso tool. You can select any objects of any shape. The second is the rectangular selection tool. The third one is for selecting the entire molecule (molecule select tool).
The second tool (rotate tool) is used to rotate the molecule. There are also two tools here. One is for rotation in a plane (2D), and the other is for rotation in space (3D).
The third one is the eraser. With a click, erases unnecessary connections.
The fourth is the choice of the required chemical element. Select the atom in the molecule that you want to rename (by default, carbon is everywhere), and in the window that appears, select the chemical element you need or enter it manually.
The fifth tool is used to draw single, double and triple bonds.
The sixth is for the spatial representation of connections located in different planes.
The seventh is for depicting chains of atoms of different lengths.
The eighth is the plus sign in the reaction equation.
Ninth - various arrows (for reversible, irreversible reactions...).
The tenth is the “atom-atom” map. It is not entirely clear why it is needed. I never use it.
The eleventh is a sequence tool. Enter the desired chemical element and a whole molecule appears on the screen. It can be edited using tools you already know.
Twelfth - parentheses. Used to depict polymers. Enclose the repeating element of the polymer chain in these brackets, where n indicates the number of times this element is repeated. You can also set the value n.
Thirteenth is a text field. From the name itself it is clear why it is needed.
The fourteenth is a tool for drawing lines (straight, broken, rounded, elliptical).
Fifteenth - for depicting geometric shapes: rectangles with sharp and rounded corners, polygonal shapes, ellipses.
It is also necessary to say that this program contains ready-made molecules (chains of atoms, cycles, amino acids, carbohydrates, etc.). In the main menu, select the "Templates" item, then select the required object. A window opens in which there will be ready-made structures. Select the one you need by clicking on it with the left mouse button, and then insert it into the working window, also by clicking with the left mouse button. And now, the molecule is ready!
And one moment. How to export a molecule to Word. To paste the resulting molecule into Word, you need to select it in ISIS DRAW and copy it. Another way is to select "File" from the main menu, then "Export". Select the desired format and save.
We have looked at only a few programs, but knowing them and knowing how to use them in your profession will make life much easier for a modern chemist.
1.Manufacturer or “New disk”
2. Product Description: Interactive tests are intended for use in the educational process using interactive voting systems (voting panels) NEW DISK or VOTUM. This modern comprehensive solution allows for frontal testing - monitoring and assessing students' educational achievements during the lesson. The program can be used in grades 8–11 to consolidate and test knowledge in chemistry.
The program includes a set of interactive tests - more than 80 different types of test tasks, combined into 8 thematic sections. Special tools allow the teacher to change the content of ready-made tests (create sets of tasks independently on program topics, determine the sequence of questions), creating for each new class and new lesson their own educational route; manage testing time; conduct voting and much more. Detailed reports on test results will help monitor individual student achievements.
The program included interactive test tasks on the topics: “Physical and chemical phenomena”, “Law of conservation of mass of matter”, “Classification of chemical reactions”, “Rate of chemical reactions”, “Redox reactions”, “Electrolysis”, “Genetic connection of inorganic substances", "Genetic relationship of organic substances".
3.Product Features:
Sets of various types of interactive tasks for conducting frontal testing.
Special tools - Timer, Draftsman, as well as the Voting mode promote flexible and varied use of program content.
The interactive Teacher Module allows you to determine the content of the lesson and maintain an electronic teacher journal.
Test results are presented in the form of reports: general - for the entire class, with the number of correct and incorrect answers, individual - for each student.
4. The user manual includes a description of the program, recommendations for use, and a description of how to operate the remote control.
The program can be used in any subject room equipped with a computer and demonstration equipment - an interactive whiteboard or projector and a white screen. To organize testing, you must have interactive voting systems NEW DISK or VOTUM.
Interactive systems NEW DISK or VOTUM include: teacher console; Individual student remote controls, radio receiver.
5.System requirements:
Supported operating systems: Microsoft® Windows® XP/Vista/7
Pentium® III 750 MHz processor or equivalent Athlon®
256 MB RAM
80 MB of free hard disk space
Video adapter with 32 MB memory (RivaTNT 2)
Chemistry workshop. Problems and solutions
2.Product Description:
In order not to be “chemical” when preparing your homework, use the help of a smart program!
The workshop is designed to solve various problems in inorganic chemistry and contains more than 20 modules, combined with a special clipboard. Each module solves a specific chemical problem - you only need to enter the initial data (formula, reaction equation, etc.), and the problem will be solved. All modules are equipped with a convenient help system that allows you to quickly find examples of problem solving. Tools for entering chemical formulas (formula or name) and other modules will also help you complete tasks. In addition, the program contains Visual Test for creating and conducting tests and several ready-made tests on the main sections of inorganic chemistry.
The workshop will help schoolchildren in studying inorganic chemistry, and will also be useful for applicants and students of universities and other educational institutions.
3.Product Features:
5500 chemical reactions in the database
Chemical Dictionary of Inorganic Chemistry
Examples of Unified State Examination in Chemistry
Tests on sections of inorganic chemistry
More than 20 modules for solving chemistry problems
4.System requirements:
Operating system Microsoft® Windows® NT/2000/XP/Vista/7
Pentium® 500 MHz processor
256 MB RAM
56 MB of free hard disk space
Screen resolution 1024x768 with 32-bit color depth
Sound device
CD Reader
Express preparation + Unified State Exam worth 100 points. Chemistry
2.Product Description:
A good score on a chemistry exam is knowledge of theory and the ability to apply it in practice when solving problems. We present a new multimedia set of two programs that will help you independently consolidate theoretical knowledge and practice problem-solving skills in chemistry.
Express preparation for the exam. Chemistry includes carefully selected theoretical questions, as well as a system for monitoring and recording knowledge. The program contains the following sections: “Theory” (more than 80 topics in chemistry for grades 9–11), “Unified State Examination Simulator” (includes instructions for completing the exam, trial tasks from parts A, B and C with the ability to control the results), “Notes "(80 topics in chemistry for grades 9–11). Educational materials can be listened to, saved in audio or text format, or printed as cheat sheets.
Unified State Examination for 100 points. Chemistry - this practical guide will help you not only prepare for the Unified State Exam, but also deal with complex tasks and objectively assess the level of your knowledge. The product consists of test tasks, which are divided into categories of question difficulty. After completing at least one exam, you can look at the “Diary”, which contains a report on the work done.
3.System requirements:
Operating system Microsoft® Windows® XP
Processor Pentium® III, Athlon
256 MB RAM
150 MB of free hard disk space
Video adapter with 2 MB memory
Screen resolution 1024x768 with 16-bit color depth
CD Reader
1C:Tutor. Chemistry
2.Product Description:
Multimedia training program “1C:Tutor. Chemistry" is aimed at high school students and school graduates entering higher education institutions. Visual examples and voice guidance, a large number of video materials and computer animation, the ability to computer simulate chemical processes and access to reference information greatly facilitate the assimilation of the material. The disk contains a special section “University Preparation”; questions and tasks included in the programs of entrance exams in chemistry at leading universities in the country are given. In addition, the disc can be used by teachers to illustrate classroom lessons.
In the manual:
demonstration of chemical phenomena using computer animation methods;
computer modeling of chemical laws;
more than 100 video clips of chemical processes;
physical and chemical properties and molecular weights of 320 substances.
3.System requirements:
1. Operating system
Microsoft Windows 95/98/ME/NT/2000/XP (with Microsoft Internet Explorer 5.5 or higher installed).
2. Computer specifications
Minimum configuration: 486/66 MHz, 32 MB RAM, CD-ROM drive, SVGA video card (800x600, 16 bit color), sound card, mouse.
3. Required amount of free disk space
Minimum installation (frequent access to CD-ROM) – 34 MB.
Maximum installation (without accessing CD-ROM) – 530 MB.
If you need to install system components from Microsoft, additional disk space may be required.
NMR
The processing and interpretation of 1D and 2D NMR data that experts can handle is now available to less experienced NMR users with NMR spectral matching and interpretation software. Create databases of experimental spectra and predict NMR spectra of any 1D and 2D experiments for your chemical structures.
Mass spectrometry
Process, interpret, and manage mass spectral and complex data with ease. Predict mass fragmentation. Use comprehensive data sets (LC/MS, LC/MS/MS, LC/DAD, CE/MS, GC/MS) to isolate chromatographic components from complex samples.
UV-IR spectroscopy
Process, interpret and conveniently manipulate optical spectra measured over a wide range, covering the entire optical spectroscopy range from 1 cm-1 to 100,000 cm-1 (100 to 10,000,000 nm) using UV, IR, visible and Raman spectroscopy techniques.
Chromatography
Design, select, and optimize separation methods, process and manipulate experimental chromatograms, and model LC and GC chromatograms using chemical structure-based predictions.
Chemical databases
Unify your company's chemistry knowledge, speed decision-making, and increase project turnaround with a powerful yet easy-to-use software package. Store and manage all information for each structure, reaction, synthetic sequence, adding related data such as biological and toxicological information, descriptive text fields, project identifiers, links to related documents and analytical data - all with full search capabilities for structural or text queries .
Prediction of physicochemical properties and toxicity (ADME/Tox)
PhysChem Suite
A complete set of tools for predicting molecular physical properties based on chemical structure, including pKa, logP, logD, and solubility as a function of pH
ADME/Tox Prediction (Pharma Algorithms)
Combining Pharma Algorithms ADME/Tox predictive software with ACD/Labs physicochemical property calculations allows accurate prediction of ADME and toxicity for a wide range of compounds. Model the effects of structure changes and use your own data to improve prediction accuracy.
Chemical Nomenclature
Generate systematic nomenclatural names (or convert names into structures) according to IUPAC and CAS Index rules using software recognized as an industry standard and already used by many scientists and companies in the chemical and pharmaceutical industries.
