[1] S.B. Chu, D Bovi, F Cappelluti, AG Orellana, H Martin, L Guidoni*,Effects of static correlation between spin centers in multicenter transition metal complexes, Journal of chemical theory and computation 13 (10), 4675-4683,8,2017 [2] S.B. Chu, E Coccia, M Barborini, L Guidoni*,Role of electron correlation along the water splitting reaction,Journal of chemical theory and computation 12 (12), 5803-5810,42016 [3] S.B. Chu, L Hu, X Hu, M Yang, J Deng*,Titanium-embedded graphene as high-capacity hydrogen-storage media,International journal of hydrogen energy 36 (19), 12324-12328,67,2011 [4] S.B. Chu, X Hu, C Du, X Wu, Y Dai, L Hu, J Deng*, Y Feng,Open space for the physisorption of H2: cointercalation of graphite with Li, Ti metal atoms and ethylene molecules,International journal of hydrogen energy 35 (3), 1280-1284,17,2010 [5] XP Wei, JB Deng, GY Mao, SB Chu, XR Hu*,Half-metallic properties for the Ti2YZ (Y= Fe, Co, Ni, Z= Al, Ga, In) Heusler alloys: a first-principles study,Intermetallics 29, 86-91,106,2012 [6] XP Wei, JB Deng, SB Chu, GY Mao, LB Hu, MK Yang, XR Hu*,A first principles study on the full-Heusler compound Mn2CuSb,Computational Materials Science 50 (3), 1175-1178,30,2011 [7] XP Wei, JB Deng, SB Chu, GY Mao, T Lei, XR Hu*,Half-metallic ferrimagnetism in Full-Heusler alloy Mn2CuMg,Journal of magnetism and magnetic materials 323 (1), 185-188,23,2011 [8] X.P. Wei, S.B. Chu, GY Mao, H Deng, T Lei, XR Hu*,First-principles study of properties of Mn2ZnMg alloy,Journal of magnetism and magnetic materials 323 (17), 2295-2299,15,2011 |