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ab-initio molecular orbital calculation  (Informa UK Limited)

 
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    Informa UK Limited ab-initio molecular orbital calculation
    Ab Initio Molecular Orbital Calculation, supplied by Informa UK Limited, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/ab-initio+molecular+orbital+calculation/ab+initio+molecular+orbital+calculation/10__1080_slash_00268976__2022__2112628-15-36-49
    Average 90 stars, based on 1 article reviews
    ab-initio molecular orbital calculation - by Bioz Stars, 2026-09
    90/100 stars

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    Article Title: Study of nonadibatic effect on dissociation channels of HCNH – the issue of abundance ratio [HNC]/[HCN] in upper atmosphere revisited
    Article Snippet: It was found that [HNC]/[HCN] is close to 1/5 at low temperature, while at very low temperature of coldest region in intersteller medium the ratio rises to unity [3,5,8,9].It has been confirmed from the correlated ab-initio molecular orbital calculation [10–12] that HCN is more stable than HNC; © 2022 Informa UK Limited, trading as Taylor & Francis Group so the unusual temperature dependence indicates that the abundance ratio must be kinetically controlled, as described by Herbst et al. [13].



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