화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 Transition states for chemical reactions I. Geometry and classical barrier height
Malick DK, Petersson GA, Montgomery JA
Journal of Chemical Physics, 108(14), 5704, 1998
2 Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry
Petersson GA, Malick DK, Wilson WG, Ochterski JW, Montgomery JA, Frisch MJ
Journal of Chemical Physics, 109(24), 10570, 1998