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“…The singlet ground state was found for cyclic nitrenium ions of the dihydrotriazole (43-47) and tetrahydrotriazole series (48)(49)(50) [90][91][92][93][94][95][96][97][98][99][100][101][102]. According to the BPW91/cc-pVDZ ab initio calculations, the ∆E ST [57].…”
Section: Electronic Structure and Properties Of Nitrenium Ionsmentioning
confidence: 99%
“…The singlet ground state was found for cyclic nitrenium ions of the dihydrotriazole (43-47) and tetrahydrotriazole series (48)(49)(50) [90][91][92][93][94][95][96][97][98][99][100][101][102]. According to the BPW91/cc-pVDZ ab initio calculations, the ∆E ST [57].…”
Section: Electronic Structure and Properties Of Nitrenium Ionsmentioning
confidence: 99%
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