화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Effect of fluorination on bandgap, first and second order hyperpolarizabilities in lithium substituted adamantane: A time dependent density functional theory
Elavarasi SB, Mariam D, Momeen MU, Hu JP, Guin M
Chemical Physics Letters, 715, 310, 2019
2 A DFT investigation of the dependence of C-13 and F-19 CSA parameters on diameter and surface decorated functional groups in F-SWCNTs
Divya S, Kumari A, Elavarasi SB
Materials Chemistry and Physics, 223, 715, 2019
3 Characterization of the F-19 chemical shielding tensor using cross-correlated spin relaxation measurements and quantum chemical calculations
Elavarasi SB, Dorai K
Chemical Physics Letters, 489(4-6), 248, 2010
4 Using the Chemical Shift Anisotropy Tensor of Carbonyl Backbone Nuclei As a Probe of Secondary Structure in Proteins
Elavarasi SB, Kumari A, Dorai K
Journal of Physical Chemistry A, 114(18), 5830, 2010