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A REVIEW ARTICLE ON: COMPUTATIONAL CHEMISTRY
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Author(s):
SAVITA RANI
Vol - 9, Issue- 4 ,
Page(s) : 95 - 99
(2018 )
DOI : https://doi.org/10.32804/CASIRJ
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Abstract
The term computational chemistry is usually used when a mathematical method is sufficiently well developed that it can be automated for implementation on a complete computational chemistry is the application of chemical, mathematical and computing skills to the solution of interesting chemical problems. It uses computers to generate information such as properties of molecules or simulated experimental results very low aspects of chemistry has been described in a qualitative of approximate quantitative computational scheme. The biggest mistake that computational chemists make is to assume that any computed number is exact.
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