화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 Benchmark Thermochemistry of the CnH2n+2 Alkane Isomers (n=2-8) and Performance of DFT and Composite Ab Initio Methods for Dispersion-Driven Isomeric Equilibria
Karton A, Gruzman D, Martin JML
Journal of Physical Chemistry A, 113(29), 8434, 2009
2 Performance of Ab Initio and Density Functional Methods for Conformational Equilibria of CnH2n+2 Alkane Isomers (n=4-8)
Gruzman D, Karton A, Martin JML
Journal of Physical Chemistry A, 113(43), 11974, 2009