Complete basis set, hybrid-density functional theory study, and natural bond orbital interpretations of the conformational behavior of halocarbonyl, thiocarbonyl, and selenocarbonyl isocyanates

Author： Mousavi Seiedeh Negar   Nori-Shargh Davood   Yahyaei Hooriye   Frahani Kobra Mazrae  

Publisher： NRC Research Press

ISSN： 1480-3291

Source： Canadian Journal of Chemistry, Vol.90, Iss.4, 2012-04, pp. : 333-343

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