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Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
Chemical Computing Group is a software company specializing in research software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's main customer base consists of pharmaceutical and biotechnology companies, as well as academic research groups.
Cheminformatics combines the scientific working fields of chemistry, computer science, and information science—for example in the areas of topology, chemical graph theory, information retrieval and data mining in the chemical space.
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CEO pay includes salary, bonuses, stock sales, and other payments. Average CEO Pay is calculated using the last year a director sat on the board of each company. Stock returns do not include dividends. All directors refers to people who sat on the board of at least one Fortune 100 company between 2008 and 2012.
John Pople (1925–2004), winner of 1998 Nobel Prize in Chemistry "for his development of computational methods in quantum chemistry", developer of Pariser–Parr–Pople method; Alberte Pullman (1920–2011), pioneered the application of quantum chemistry to predicting the carcinogenic properties of aromatic hydrocarbons.
Laura Gagliardi (born 6 April 1968) is an Italian theoretical and computational chemist and the Richard and Kathy Leventhal Professor of Chemistry and Molecular Engineering at the University of Chicago. She is known for her work on the development of electronic structure methods and their use for understanding complex chemical systems.
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