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Establishing Relationships Between the Geometric Structure and Chemical Reactivity of Alloy Catalysts Based on Their Measured Electronic Structure

✍ Scribed by Neil Schweitzer; Hongliang Xin; Eranda Nikolla; Jeffrey T. Miller; Suljo Linic

Publisher
Springer
Year
2010
Tongue
English
Weight
537 KB
Volume
53
Category
Article
ISSN
1022-5528

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## Abstract The electron structures of various unstable N‐methylolamines and their imine cations formed during the urotropine nitrolysis process were studied by SCF‐CNDO/2 computation. The relative tendency of forming imine cations from such N‐methylolamine molecules was assessed by the computation