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What is Computational Chemistry?
Assignment Hippo, besides providing chemistry assignment help for all your assignments, does online mentoring of students willing to make their foundations robust. So, let us get acquainted with computational chemistry as a discipline first, to get an insight into what we are going to deal with. Computational chemistry can be defined as the use of computers and computer sciences to solve the equations of a theory or model for the properties of chemical systems, where model refers to the simplified representation of a physical system.
We are already familiar with the twin branches of all the sciences, i.e. theory and experiment, where, in theory, predictions are made, which are falsifiable and thus, claims are made, which can be demonstrated to be either true or false during an experiment, which are specific predictions made due to the models introduced in theory. Experiments test the theories and reject the incorrect ones, thereby narrowing the scope under which theory is either right or wrong. However, simulation is a rapidly emerging third pillar in terms of the volume of research produced.
Moreover, in theory, we think more in terms of the conceptual ideas making the nuts and bolts of the equations, however, sometimes these equations result in very complicated mathematics, and it becomes difficult to solve them, or sometimes their conclusions are not ascertained. In such scenarios, instead of using the theories in experiments, scientists assist the process by using simulations. Computation chemistry is likewise, the use of simulations in the context of chemistry. Therefore, chemical theory generates equations for simulations to solve, which in return give solutions to those equations, which allows us to help this feedback loop of experiments testing theory.
Furthermore, at times when the experimental data is very intricate, having molecular spectra or other sorts of experimental data, using a simpler model system becomes important. Thus, simulation techniques are used to obtain the results of the desired spectrum or other experimental results and interpret the experiment.
The discipline is more intricate than it might sound right now, because it needs to have an in-depth understanding of various sciences that have to be collaboratively studied here, thus rendering many scholars studying it seek professional computational chemistry assignment help. To your relief, Assignment Hippo has got the panaceas for all your predicaments.
Why is Computational Chemistry Important?
While computational chemistry deals with the simulation of various chemical experiments and theories, it has become an integral part of the processes that occur in pharmaceutical companies nowadays. Pharmaceutical companies annually synthesise thousands of chemical compounds in their search for new safer and effective drugs. The sources of ideas for new drug compounds are varied and include materials found in plants as well as the modifications in existing drugs and materials occurring naturally in human bodies. However, with the application of computational chemistry, scientists start for a new drug with an understanding at the molecular level of the disease that they wish to treat. As a result, they can predict the structures of chemicals that might affect the course of the disease, in which computer modelling acts as a vital tool. Computer modelling methods are used vividly by chemists in pharmaceutical companies in the ways that follow:
X-ray diffraction: X-ray diffraction allows the chemists to work out the three-dimensional structures of complex molecules and to make either real or computer models of them. Diffraction patterns produced are observed by computers, resulting in the formation of maps, showing both the enzyme’s electron density and its 3D-structure.
Molecular modelling: Computer software allows the structures to be viewed from many angles and in different ways such as ball and stick, space-filling, and skeletal.
Designing a drug molecule: the process of designing a new drug starts from understanding how a pathogen (foreign infectious organism) attacks the cells. Consequently, a drug is produced based on the mechanism of the pathogen’s replication inside the cells.
Apart from the pharmaceutical industry, computational chemistry has got its footsteps established in various other academic domains, which makes it a field in demand. Scholars across the globe are getting enrolled in computational chemistry degrees, wherein they are often expected to make certain assignments. Considering what the subject is all about, we sure cannot assume these assignments to be a cakewalk, do we? Well, we understand that there can be several other reasons that can hinder scholars from finishing their assignment tasks on their own, hence, we bring to you the best computational chemistry assignment help Australia has witnessed till date.
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Attached below is the assignment task that one of the scholars seeking our online computational chemistry assignment help brought to our experts. It required the scholar to prepare a protocol, using the spectral data, for the synthesis of a drug, functionalized acetophenone, for the treatment of dementia-related to Alzheimer's disease, followed by presenting it in a report format.
As you can probably assume, this task would have required its doer to have a to the core understanding of the concepts and principles of computational chemistry, which, apparently our computational chemistry online tutors possess. That is why the scholar got the finest grades for the work we proffered to him.
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