Ab Initio MD Simulations on the Prototype of Methyl Chloride Hydrolysis with Explicit Consideration of Three Water Molecules: A Comparison of MD Trajectories with the IRC Path
Journal Article
·
· Theoretical Chemistry Accounts, 102(1-6):262-271
There is no abstract currently available for this item
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 15002184
- Report Number(s):
- PNNL-SA-30109; KP1704020; TRN: US200408%%105
- Journal Information:
- Theoretical Chemistry Accounts, 102(1-6):262-271, Vol. 102, Issue 1-6
- Country of Publication:
- United States
- Language:
- English
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