Marcus, R. A. (1968) Analytical Mechanics of Chemical Reactions. III. Natural Collision Coordinates. Journal of Chemical Physics, 49 (6). pp. 2610-2616. ISSN 0021-9606 http://resolver.caltech.edu/CaltechAUTHORS:20120828-155547899
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The coordinates of earlier papers of this series are extended from linear collisions to reactions in three dimensions. Termed “natural collision coordinates,” they have a unique property of passing smoothly from those suited to reactants to those suited to products. Potential applications to bimolecular reactions are described.
|Additional Information:||© 1968 American Institute of Physics. Received 13 March 1967. Acknowledgment is made to the donors of the Petroleum Research Fund, administered by the American Chemical Society, for partial support of this research. This research was also supported by a grant from the National Science Foundation at the University of Illinois and by a National Aeronautics and Space Administration Grant NsG-275-62 while the author was a Visiting Professor at the Theoretical Chemistry Institute of the University of Wisconsin. It is a particular pleasure to acknowledge the warm hospitality of Professor Hirschfelder, Professor Bernstein, and their colleagues while the writer was a Visiting Professor at the Theoretical Chemistry Institute of the University of Wisconsin. Mr. Shiou-Fu Wu, who is currently working on applications of the present work, has also made a number of helpful suggestions and provided Fig. 6.|
|Official Citation:||Analytical Mechanics of Chemical Reactions. III. Natural Collision Coordinates R. A. Marcus, J. Chem. Phys. 49, 2610 (1968), DOI:10.1063/1.1670460|
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|Deposited By:||Jason Perez|
|Deposited On:||29 Aug 2012 15:09|
|Last Modified:||26 Dec 2012 16:04|
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