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Reseach Article

Computational Techniques: Taking Organic Photochemistry to Cyberspace

Published on September 2014 by Mamta Garg, Sunita Parihar, Chetna Gomber
National Conference on Advances in Technology and Applied Sciences
Foundation of Computer Science USA
NCATAS - Number 1
September 2014
Authors: Mamta Garg, Sunita Parihar, Chetna Gomber
ed3b4643-21a3-48ca-ba70-0afd167a3123

Mamta Garg, Sunita Parihar, Chetna Gomber . Computational Techniques: Taking Organic Photochemistry to Cyberspace. National Conference on Advances in Technology and Applied Sciences. NCATAS, 1 (September 2014), 13-15.

@article{
author = { Mamta Garg, Sunita Parihar, Chetna Gomber },
title = { Computational Techniques: Taking Organic Photochemistry to Cyberspace },
journal = { National Conference on Advances in Technology and Applied Sciences },
issue_date = { September 2014 },
volume = { NCATAS },
number = { 1 },
month = { September },
year = { 2014 },
issn = 0975-8887,
pages = { 13-15 },
numpages = 3,
url = { /proceedings/ncatas/number1/17942-1604/ },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Proceeding Article
%1 National Conference on Advances in Technology and Applied Sciences
%A Mamta Garg
%A Sunita Parihar
%A Chetna Gomber
%T Computational Techniques: Taking Organic Photochemistry to Cyberspace
%J National Conference on Advances in Technology and Applied Sciences
%@ 0975-8887
%V NCATAS
%N 1
%P 13-15
%D 2014
%I International Journal of Computer Applications
Abstract

Photochemistry deals with chemical reactions taking place in the presence of light. Immense amount of solar energy received from sun can be utilized for these reactions. The computational investigation of realistic models of organic compounds is becoming a standard practice nowadays. Computer programs can mimic the process of photochemical reactions and predict the outcome of such reactions and thereby, eliminate the need of some lab testing. Current review describes the photochemical reaction from absorption of energy to formation of photoproduct, using computational techniques such as Gaussian 94, MOLCAS, CAS-SCF/MP2 etc. available in standard quantum chemistry packages. This makes computer an important and inseparable tool for chemists and many industrial processes.

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Index Terms

Computer Science
Information Sciences

Keywords

Photochemistry Organic Compounds Absorption Photoproduct Computational Techniques