화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory
Howard JC, Sowndarya SVS, Ansari IM, Mach TJ, Baranowska-Laczkowska A, Crawford TD
Journal of Physical Chemistry A, 122(28), 5962, 2018
2 Basis Set Dependence of Coupled Cluster Optical Rotation Computations
Mach TJ, Crawford TD
Journal of Physical Chemistry A, 115(35), 10045, 2011
3 A Coupled Cluster Benchmark Study of the Electronic Spectrum of the Allyl Radical
Mach TJ, King RA, Crawford TD
Journal of Physical Chemistry A, 114(33), 8852, 2010