화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Calculation of N-15 NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels (vol 123, pg 8417, 2019)
Semenov VA, Samultsev DO, Krivdin LB
Journal of Physical Chemistry A, 124(1), 256, 2020
2 Computational Multinuclear NMR of Platinum Complexes: A Relativistic Four-Component Study
Semenov VA, Samultsev DO, Rusakova IL, Krivdin LB
Journal of Physical Chemistry A, 123(23), 4908, 2019
3 Calculation of N-15 NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels
Semenov VA, Samultsev DO, Krivdin LB
Journal of Physical Chemistry A, 123(39), 8417, 2019
4 Calculation of N-15 and P-31 NMR Chemical Shifts of Azoles, Phospholes, and Phosphazoles: A Gateway to Higher Accuracy at Less Computational Cost
Rusakov YY, Rusakova IL, Semenov VA, Samultsev DO, Fedorov SV, Krivdin LB
Journal of Physical Chemistry A, 122(33), 6746, 2018