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Coupled cluster calculations using relativistic effective core potentials and ab initio calculations of $M^*$ + $H_2$ → MH + H reactions and silatranes = 유효중심포텐셜을 이용한 커플드 클러스터 계산과 $M^*$ + $H_2$ → MH + H 반응과 실라트레인에 대한 순이론적 계산link Lee, Hyo-Sug; 이효석; et al, 한국과학기술원, 2000 |
KPACK: Relativistic Two-component Ab Initio Electronic Structure Program Package Kim, Inkoo; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.34, no.1, pp.179 - 187, 2013-01 |
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