The reaction of HNO with o radical was investigated by density functional theory (DFT) and ab initio methods.
用密度泛函理论(DFT)和从头算方法，对HNO与O自由基反应进行了研究。
Abstract The extraction of americium, plutonium and uranium by dicyclohexano 18 crown 6(DCH18C6)/1 octanol from HNO 3 solution and simulated HLLW are studied.
摘要研究了二环己基18 冠6（DCH18C6）-正辛醇从硝酸溶液和模拟高放废液中镅、钚、铀的萃取。
Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... o blue-shifted hydrogen bond in the HNO dimer.
利用分子轨道从头算理论和密度泛函理论结合不同理论基组对于N - H…O蓝移氢键进行了详细的研究。
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