International Research Journal of Commerce , Arts and Science

 ( Online- ISSN 2319 - 9202 )     New DOI : 10.32804/CASIRJ

Impact Factor* - 6.2311


**Need Help in Content editing, Data Analysis.

Research Gateway

Adv For Editing Content

   No of Download : 134    Submit Your Rating     Cite This   Download        Certificate

A REVIEW ARTICLE ON: COMPUTATIONAL CHEMISTRY

    1 Author(s):  SAVITA RANI

Vol -  9, Issue- 4 ,         Page(s) : 95 - 99  (2018 ) DOI : https://doi.org/10.32804/CASIRJ

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.

  1. A online text on computational chemistry https:/www.tau.ac.il>~ephraim
  2.  David young” computational chemistry: a practical guide for applying techniques to real world problems”, John Wiley &sons, 2001
  3. A.R. leach” Molecular modelling principles and applications” Addison Wesley longman (1996)
  4. G.H. Grant, W.G. Richards” Computational Chemistry” oxford (1995)
  5.   F. Jensen “ Introduction to computational chemistry” John Wiley & sons(1999)

*Contents are provided by Authors of articles. Please contact us if you having any query.






Bank Details