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Copolymers of carbon dioxide and nitrogen: an AM1 and ab initio computational study

✍ Scribed by Jeta Bylykbashi; E. Lewars


Book ID
114143464
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
385 KB
Volume
469
Category
Article
ISSN
0166-1280

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High-level ab initio computational study
✍ Branko S. Jursic πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 200 KB πŸ‘ 2 views

High levels of ab initio calculations were performed with the target of exploring the potential-energy surface for the doublet and the quartet nitrogen with methane. There is a considerable difference between these two reaction paths in light of the formation of the reactant complex. Doublet nitroge