Computer programs in chemistry. Files Program for chemical reactions

06.05.2022

In the “Files” section, small chemical utilities for educational and practical purposes will be posted for download.

Educational

Virtual Chemistry Laboratory- visual laboratory simulator and laboratory work in Inorganic/Analytical Chemistry, including editor of new laboratory papers.

Visually, the Laboratory is presented in the form of two-dimensional interactive graphic scenes; the course of chemical experiments is based on a built-in thermodynamic model that automatically calculates chemical equilibrium and thermal effects of reactions.

Installation and launch: Virtual chemical laboratory is a Java application, so make sure you have Java support installed before installing and using it (the site provided allows you to check the version of your installed Java environment and download the latest update)!

Creating a desktop shortcut through which the version with the Russian interface will be available:

  • Right-click on a free work surface Windows desktop
  • In the menu that opens, select “Create” o “Shortcut”. The Shortcut Creation Wizard window will open.
  • You need to specify the location of the vlab.jar file; to do this, click the “Browse” button in the object placement selection field. A window for selecting folders and files will open.
  • Select the VLab directory and the vlab.jar file in it, click the “OK” button.
  • Click the Next button of the shortcut wizard.
  • Enter the name of the shortcut that appears on the desktop, for example, VLab and click "Done"

A VLab shortcut will appear on your desktop. However, this shortcut launches the English version of the program. In order for the shortcut to launch the Russian version, it must be edited.
To do this, right-click on the shortcut and select “Properties” from the menu. In the window that opens, the “Object:” field displays the full path to the vlab.jar file. Add “-l ru” to the end of the line (with a leading space, without quotes).
For example, if in the “Object” field there was:
D:ChemistryVLab lab.jar
then after editing the line should be:
D:ChemistryVLab lab.jar -l ru
then click the “OK” button. After editing, the shortcut launches the already Russified version of the Virtual Laboratory.

Visualization

MacMolPlt provides all the necessary functions for creating molecular structures and processing the results of quantum mechanical calculations.
Includes tools for preparing Gamess input files and visualizing calculated data: enthalpy of formation, geometric parameters, energy level occupancy, molecular orbitals, electron density analysis, vibration animation and much more.

Avogadro- a visualizer with quite extensive capabilities, includes a number of useful functions, such as compiling input files, preliminary optimization of geometry using the molecular mechanics method, etc.

Calculated

DynVis 2.0 - This program allows you to visualize the surface of the potential energy of the reacting system, and also allows you to trace the movement of the configuration point along a given trajectory and build energy profiles of this trajectory. The program is also designed to calculate PES and trajectories of movement along it and visually present the obtained data.

Applied

EquPixy plugin for Microsoft Word will help when working with chemical and mathematical formulas. The plugin's functions allow you to convert a mathematical formula written in one line into a formula with full numerators, denominators, roots and powers with one click of a button. Chemical formulas automatically change numbers indicating the number of atoms into interlinear text. The plugin is also able to check the correctness of chemical equations for the number of elements on the right and left, and the control panel has buttons for quickly inserting the most used symbols of the Greek alphabet and mathematical symbols. This plugin will be useful for schoolchildren, students and graduate students. Distributed free of charge.

Attention! Before installation, change the Word macro security settings: Tools - Macro - Security - set to "Medium" and restart Word, then open the EquPixi file and allow macros to run, after installation, do not forget to restore the macro security level to "High".

English-Russian dictionary Qdictionary will help you understand English texts, program interfaces, and articles. A simple interface, consisting only of a query input field (one word at a time) and a list of dictionaries, can be translated by clicking on a word in another program (for example, a browser).

List of dictionaries: English-Russian, English-Russian (additional), encyclopedic, English-Russian polytechnic and scientific-technical dictionaries, civil engineering, programming, etc.

The Chemistry Olympiad for 11th grade students consists of 6 tasks. The final score of 6 problems includes the 5 solutions for which the participant scored the highest points, that is, one of the problems with the lowest score is not taken into account. For each correctly completed task you can receive from 1 to 10 points. 180 minutes are allotted to complete the work. No special equipment is required to perform the work. It is permitted to use a non-programmable calculator, the periodic table of chemical elements, a table of solubility of acids, salts and bases in water and the metal activity series/electrochemical voltage series.

The game is created for all chemistry lovers. The goal of the game is to create a chemistry term from letters; the definition on the slide is a hint.

Program in which the development was created: PowerPoint 2010. When starting the presentation, you must enable macros.

The target audience: for 11th grade

The program is designed to solve simple calculation problems in chemistry based on ONE reaction equation. She herself composes, balances the equation and carries out calculations after selecting the starting materials. The solution is presented in text form with short explanations. The main difficulty, in my opinion, is introducing the conditions of the problem (the program itself gives some hints, but you still have to practice).
Schoolchildren (even those practically unfamiliar with theoretical chemistry) will be able to solve the problem if, of course, they correctly transfer these conditions from the textbook to the program. And the program will help specialists get a numerical answer in a minute, without resorting to reference data and a calculator.
The program composes reaction equations based on general theoretical principles of chemistry, so non-standard processes may be written incorrectly (however, these are unlikely to be used in school). Nevertheless, I will be grateful for any comments and suggestions that should be made.

I tried to take into account the experts’ comments on tests based on presentations (and added something of my own). The test consists of 10 tasks (it’s not a problem to change), and the set of tasks is not repeated from test to test. In each approach there will be test items of all types (one-sample closed, concept matching and open). Two levels of test difficulty (middle school students, Olympiad).

Displays complete information about the passed test on the screen and as a file in the program folder. Subject to availability computer network The entire class can be tested, and the summary resulting information is recorded on the teacher's computer.

I'll be happy to listen to constructive criticism.

Target audience: for 11th grade

For most schoolchildren, the formula of a substance is an abstraction that is not associated with any of its sensations or memories. This chemistry game created to fill this gap. I hope the student will remember that NO2 is a brown gas, heavier than air, can react with H2 and NaOH and does not react with O2 and HCl; maybe even learn to apply density and relative density to your choices.

The second level of difficulty is for those who know this, know how to think and compare facts. What am I writing?! Try it yourself! I can assure you that it will not be easy at first. In short, the second level is good toy for teachers and Olympiad participants. You can even try to hold a tournament among your colleagues and win (but they are unlikely to want to participate)

Target audience: for 11th grade

Subject - chemistry. Main purpose - calculation of the mass fraction of a substance in solution(during dissolution, dilution, evaporation; also for the case of substances that react with water and crystalline hydrates) and determination of the required mass ratio of components to obtain a solution of the required concentration. Recalculation of all types of concentrations(mass fraction, molar, molal, molar fraction) from one to another. There is a small block with theoretical material on this topic.

All files after unpacking must be in the same folder.

The intended audience is wide, incl. teachers.

Target audience: for teachers

Finds chemical reaction equations for a given starting substance or product from a large database. Determines molar mass using the formula. Provides historical information about simple substances.
The target audience is wide, including teachers and those preparing for Olympiads (since I specifically tried to introduce non-trivial equations)

Target audience: for teachers

Comparison operating systems, choice of Windows 8.1, advantages, comparison antivirus programs, review software to help a chemistry and biology teacher. Analysis free software from the Windows Store.

But this is not the only science that developers are working to popularize today. And, of course, their attention did not pass by chemistry - an interesting science about the structure of substances, which usually causes horror in children of incomprehensible elements and formulas. But it seems that, as always, it’s a matter of approach. Perhaps, if you diversify the study of the periodic table using various games and introduce children to the concept of chemical valency using a colorful and understandable application, then the subject itself will not seem boring or inaccessible to them. So we bring to your attention a selection of applications and games for studying chemistry.

An app for learning about chemical elements, which the English writer and actor Stephen Fry once described as follows: “This app is worth buying an iPad for!” The Elements is a unique database of basic chemical elements presented in the form of high-quality 3D models. The app is based on the book The Elements by Theodore Gray, author of the Gray Matter column in Popular Science Magazine, but The Elements' capabilities extend far beyond the print edition.

For each element, an example is selected, which is presented in the form of a rotating 3D model (for example, a tin soldier - for tin, a gold bar for gold, etc.), which you can independently launch, turn over, enlarge - in general, explore from all sides . Next to each element there is a column of data and facts that tell in detail about its features. The developers characterize their product this way:

The Elements is not a help application; is a rich and fascinating love story of the periodic table, told in words and pictures, allowing you to experience the beauty and majesty of the building blocks that make up our Universe like never before.

Repeatedly recognized as one of the best programs for learning chemistry, The Elements costs only $4.99. The application can be downloaded from iTunes. Unfortunately, the video review is only available in English, but even the visuals are enough to understand how good this program is.

In that free application you will find three-dimensional models of various substances. Molecules has several visualization modes that allow users to rotate models, change the scale of the molecule, increase/decrease size, etc. The application itself has a very decent database of molecular models, but at the same time the user has the opportunity to download examples from specialized sites for international repositories of biological molecules and their three-dimensional models. To do this, you need to enter the name of the substance in the search bar (Water, Gold, Insulin, etc.). Of course, comprehensive information is presented here about each molecule and molecular compound: the full name of the molecular structure (do you remember that most often substances are called abbreviated, and the full name is usually known only to specialists?), the number and types of amino acids in the case of proteins, nucleotide sequences for DNA and RNA, names of compound researchers and much more. The app is available on iTunes.

Created by a Michigan chemistry professor, this app helps users understand how molecules fit together. Gameplay consists of five levels, each of which requires the player to make 2D Lewis dot structures. Anyone who completes the task will be rewarded by turning the 2D structure into a 3D model. In addition, at the end of each level, the application will give you a philosophical rhetorical question about the structure of the Universe and its substances, so that even if you fail to comprehend valency, the philosophy of chemistry will become a little closer to you. You can download Chemical Valence from the App Store for $0.99.

This is a kind of virtual chemical laboratory in your mobile device. Here you can conduct experiments with various substances and observe the most unexpected reactions. As you understand, in virtual space you can even experiment with explosives and radioactive substances. The results of the experiments are simulated in real time, and the program takes into account a bunch of parameters: air composition, ambient temperature, mass and volume of mixed substances, etc. To make the task easier for a novice chemist, the application provides a database of basic reactions for each substance from the periodic table. However, you can “chemically” and discover your own reactions. Chemist Lab is available on iTunes and costs $4.99. But there is also a free trial version.

Do you think it's another chemical laboratory? You guessed wrong! Chem Lab is a fun quiz that will test your knowledge of basic chemical formulas. The user is asked to perform 5 tasks in turn (drag the necessary elements into a test tube to produce gas or combine suitable substances, etc.). At the end of the experiments, the required results for each task are shown and compared with your achievements. Be careful - if the reaction is unsuccessful, something may explode or catch fire. Of course, working in the application is safe, but the explosion at least indicates that in reality it is not worth repeating such an experience. The app is available in the App Store and costs only $0.99.

Talking Ben the Dog is a game for little ones. Talking dog Ben is a retired chemistry professor who is pretty tired of life. All he does is eat, drink and read newspapers. You can try to stir him up, or you can simply press the “Chemistry” button and send the old professor to the laboratory to conduct simple chemical experiments with him (mix two liquids and observe the reaction). Nothing particularly educational, but at least the child learns that mixing two substances can lead to an unexpected reaction. It seems like a good start for telling a child about chemistry as a science. The app is available for free on iTunes and Google Play.

Another tool for studying chemistry, which allows you to get acquainted with the activity of elements, study redox reactions, solve chemistry problems, obtain final reaction products and equalize coefficients. The appendix contains a description of the reactions of more than one and a half thousand chemical compounds. The application interface is extremely simple, as is the work in it: to react, just select the necessary elements from the table and connect them. The application can be downloaded from Google Play for free.

Application-game for studying chemistry. Now you don’t need to force your child to cram chemical elements; just install Elements Quiz, where the periodic table is studied in a simple game form. The basic rules of the game are to look in the table for chemical elements suggested by the program. What could be simpler? But in the process of such a search, the child gradually remembers the name of the element, its symbol and place in the table - those basics that are necessary for further successful study of the subject. For more advanced users, the app has built-in quizzes that are not that easy to master. In addition, the application is linked to Wikipedia, so you can always get Additional information about this or that element in the free encyclopedia.

This is an application that allows you to easily draw formulas of organic compounds. But, as users note, it is impossible to describe and depict full-fledged reactions in the program, so MolPrime+ can only be used as a formula editor for now. By the way, it’s easy to share your achievements in the application with friends via Twitter and email, so you can compete in skill. MolPrime+ is easy to download from