Computational Techniques: Taking Organic Photochemistry to Cyberspace
Mamta Garg, Sunita Parihar and Chetna Gomber. Article: Computational Techniques: Taking Organic Photochemistry to Cyberspace. IJCA Proceedings on National Conference on Advances in Technology and Applied Sciences NCATAS(1):13-15, September 2014. Full text available. BibTeX
@article{key:article,
author = {Mamta Garg and Sunita Parihar and Chetna Gomber},
title = {Article: Computational Techniques: Taking Organic Photochemistry to Cyberspace},
journal = {IJCA Proceedings on National Conference on Advances in Technology and Applied Sciences},
year = {2014},
volume = {NCATAS},
number = {1},
pages = {13-15},
month = {September},
note = {Full text available}
}
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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