Search Results - Tran, Tri M., BS*
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Mechanistic study of ethylene tri- and tetramerisation with Cr/PNP catalysts: effects of additional donorsElectronic supplementary information (ESI) available: Further analysis of 1-octene formation kinetics, discussion of spin states of 1-3, details of BSSE corrections and optimised geometries and energies (PDF). See DOI: 10.1039/c6cy02112c
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Unique cation-cyclohexane interactions in tri- and hexa-fluorocyclohexane multidecker complexes in the gas phase: a DFT studyElectronic supplementary information (ESI) available: Optimized structures of the considered Li+-complexes and K+-complexes obtained at B3LYP/6-31+G(d,p) level of theory are presented in ESI Fig. S1 and S2 respectively. BSSE correction in kcal mol−1 for Na+, Li+, K+-complexes obtained at B3LYP/6-31+G(d,p) level of theory is presented in ESI Table S1. BSSE correction in kca
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