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Chemical Reactions “On the Fly”
Author(s) -
Frank Irmgard
Publication year - 2003
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200201605
Subject(s) - on the fly , chemistry , computer science , operating system
Molecular dynamics “on‐the‐fly” gives new insights in chemical reactivity on very short time scales. The pictures resulting from the simulations offer a precise and comprehensive view of chemical reactions in three‐dimensional space. Processes such as the reaction between formaldehyde and two hydroxyl radicals shown here, as well as very complex reaction pathways, can be determined in this way.