Ab Initio Predictions and Experimental Confirmation of Large Tunneling Contributions to Rate Constants and Kinetic Isotope Effects for Hydrogen Atom Transfer Reactions (English)
- New search for: B. C. Garrett
- New search for: D. G. Truhlar
- New search for: J. M. Bowman
- New search for: A. F. Wagner
- New search for: D. Robie
- New search for: B. C. Garrett
- New search for: D. G. Truhlar
- New search for: J. M. Bowman
- New search for: A. F. Wagner
- New search for: D. Robie
1986
- Report / No indication
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Title:Ab Initio Predictions and Experimental Confirmation of Large Tunneling Contributions to Rate Constants and Kinetic Isotope Effects for Hydrogen Atom Transfer Reactions
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Contributors:B. C. Garrett ( author ) / D. G. Truhlar ( author ) / J. M. Bowman ( author ) / A. F. Wagner ( author ) / D. Robie ( author )
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Publisher:
- New search for: Chemical Dynamics Corp., Upper Marlboro, MD
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Publication date:1986
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Size:4 pages
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Type of media:Report
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Type of material:No indication
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Language:English
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Contract Number:AD-A175 628/7/XAB; DAAG29-84-C-0011
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Keywords:Physical & Theoretical Chemistry , Isotope effect , Reaction kinetics , Oxidation , Computations , Ground state , Atoms , Hydrogen , Transfer , Delay , Potential energy , Surfaces , Bending , Motion , Tunneling , High temperature , Isotopes , Constants , Rates , Reprints , Tunneling(Electronics) , Deuterium , Oxygen , Coordinates , Response , Theory , Reaction time , AB Initio Calculations , ICUT(Improved Cononical Variational Technique)
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