Theory and Computing of Gas Phase Chemical Reactions: From Exact Quantum to Approximates Dynamical Treatments
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Author | : |
Publisher | : |
Total Pages | : 25 |
Release | : 2006 |
ISBN-10 | : OCLC:318682861 |
ISBN-13 | : |
Rating | : 4/5 (61 Downloads) |
Book Synopsis Theory and Computing of Gas Phase Chemical Reactions: From Exact Quantum to Approximates Dynamical Treatments by :
Book excerpt: A realistic simulator of complex gas phase systems needs to handle accurately processes spanning di erent scales of space and time. The paper outlines the key theoretical and computational features of modern a priori treatments of the dynamics of elementary processes in these systems with particular emphasis on reactive processes.