✦ LIBER ✦

96/06767 Molecular orbital study on interactions between nitrogen functional groups and O2, NO molecules

Book ID: 104281926
Publisher: Elsevier Science
Year: 1996
Weight: 195 KB
Volume: 37
Category: Article
ISSN: 0140-6701
DOI: 10.1016/s0140-6701(97)84136-7

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✦ Synopsis

In orde; td study correlations between the 'fractional &version of N to NO and N,O and the N functionalitv in the coal/char. calculations were made of thebondin 8 interactions of g functional grouds and 0,, NO molecules using MOPA 93. It is a general-purpose semiempirical MO package for the study of solid state and molecular structures and reactions.

98106788

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