COMPUTATIONAL CHEMISTRY Meaning and
Definition
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Computational chemistry is a branch of chemistry that utilizes computer simulations and mathematical models to understand chemical systems and predict their behavior. It involves the application of computational methods, algorithms, and techniques to investigate chemical phenomena, study the structure and properties of molecules, or simulate chemical reactions.
This interdisciplinary field combines principles from chemistry, physics, mathematics, and computer science to provide insight into molecular interactions, reaction mechanisms, and the properties of chemical compounds. Computational chemists use powerful computers and specialized software to perform calculations on atoms and molecules, solving complex equations that describe their behavior.
By employing quantum mechanics principles, computational chemistry aims to accurately calculate and predict various properties of molecules, such as their energy levels, molecular geometry, electronic structures, and spectroscopic properties. These calculations can be used to design new drugs, study protein structures, develop new materials, investigate reaction pathways, or explore the properties of chemical compounds under different conditions.
The computational methods used in this field include molecular mechanics, molecular dynamics simulations, quantum chemistry, density functional theory, and Monte Carlo methods, among others. These methods enable scientists to simulate, visualize, and manipulate chemical systems at the atomic and molecular level, providing valuable insights into chemical phenomena that can help guide experimental research.
Overall, computational chemistry plays a crucial role in both fundamental research and practical applications, contributing to the advancement of chemistry and aiding in the development of new materials, drugs, and technologies.
Common Misspellings for COMPUTATIONAL CHEMISTRY
- xomputational chemistry
- vomputational chemistry
- fomputational chemistry
- domputational chemistry
- cimputational chemistry
- ckmputational chemistry
- clmputational chemistry
- cpmputational chemistry
- c0mputational chemistry
- c9mputational chemistry
- conputational chemistry
- cokputational chemistry
- cojputational chemistry
- comoutational chemistry
- comlutational chemistry
- com0utational chemistry
- compytational chemistry
- comphtational chemistry
- compjtational chemistry
- compitational chemistry
Etymology of COMPUTATIONAL CHEMISTRY
The word "computational chemistry" is composed of two main elements: "computational" and "chemistry".
The term "computational" originates from the word "compute", which comes from the Latin word "computare". "Computare" refers to the action of calculating or summing up. Over time, "compute" evolved in the English language to represent the process of performing mathematical calculations using a computer.
The word "chemistry" has its roots in the Arabic word "al-kīmiyā", which was derived from the Egyptian word "kēme" or "khēm", meaning "earth" or "black". "Al-kīmiyā" referred to the ancient practice of transforming base metals into gold via a process called transmutation. However, as the field of chemistry evolved, it came to encompass the study of matter, its properties, composition, and interactions.
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