Resonance bonding in XNgY (X = F, Cl, Br, I; Ng = Kr or Xe; Y = CN or NC) molecules: an NBO/NRT investigation

Song, JJ; Su, Y; Jia, YP; Chen, LS; Zhang, GQ

Zhang, GQ (reprint author), Shandong Normal Univ, Coll Chem Chem Engn & Mat Sci, Collaborat Innovat Ctr Functionalized Probes Chem, Key Lab Mol & Nano Probes,Minist Educ, Wenhua East Rd 88, Jinan 250014, Shandong, Peoples R China.

JOURNAL OF MOLECULAR MODELING, 2018; 24 (6):

Abstract

Several noble-gas-containing molecules XNgY were observed experimentally. However, the bonding in such systems is still not understood. Using natural ......

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