화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 An accurate description of the Bergman reaction using restricted and unrestricted DFT: Stability test, spin density, and on-top pair density
Grafenstein J, Hjerpe AM, Kraka E, Cremer D
Journal of Physical Chemistry A, 104(8), 1748, 2000
2 Biradical Thermochemistry from Collision-Induced Dissociation Threshold Energy Measurements .2. Experimental and Theoretical-Studies of the Mechanism and Thermochemistry of Formation of Alpha,N-Dehydrotoluene Biradicals from Gas-Phase Halide Elimination-Reactions
Wenthold PG, Wierschke SG, Nash JJ, Squires RR
Journal of the American Chemical Society, 116(16), 7378, 1994