Journal of the Korean Chemical Society
 2004
DOI: 10.5012/jkcs.2004.48.3.229
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A Theoretical Study on the Inter-molecular Hydrogen Bond Between Nitromethanes and the Stabilization of Nitromethane Dimer

Min Joo Lee1,
Ji Young Kim2

Abstract: 요약. 고에너지 화합물의 수소결합 현상을 연구하기 위하여 nitromethane 단량체(monomer)와 이합체(dimer)에 대하여 Gaussian-98 프로그램을 사용하여 restricted BLYP/6-311++G(d,p), B3LYP/6-311++G(d,p), MP2/6-311++G

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