Výsledky vyhledávání - "Pearce, Carolyn I"

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Atomic-scale Mapping Unravel Anisotropic Dissolution Behaviors of Gibbsite Nanosheets

Autor: Li, Xiaoxu, Guo, Qing, Zhao, Yatong, Chen, Ping, Legg, Benjamin A, Liu, Lili, Liu, Chang, Chen, Qian, Wang, Zheming, De Yoreo, James J., Pearce, Carolyn I, Clark, Aurora E., Rosso, Kevin M., Zhang, Xin

This study examines the anisotropic dissolution of the basal plane gibbsite ({\gamma}-Al(OH)3) nanoplates in sodium hydroxide solution using in situ atomic force microscopy (AFM) and density functional theory (DFT) calculations. In the surface-reacti

Externí odkaz: http://arxiv.org/abs/2305.05606

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$^{27}\text{Al }$ NMR chemical shift of $\text{Al}(\text{OH})_{4}^{-}$ from first principles. Assessment of error cancellation in NMR chemical shift computations in chemically distinct reference and targeted systems

Autor: Martinez-Baez, Ernesto, Feng, Rulin, Pearce, Carolyn I., Schenter, Gregory K., Clark, Aurora E.

Publikováno v: J. Chem. Phys. 152, 134303 (2020)

Predicting accurate NMR chemical shieldings relies upon cancellation of different types of error in the ab initio methodology used to calculate the shielding tensor of the analyte of interest and the reference. Often the intrinsic error in computed s

Externí odkaz: http://arxiv.org/abs/2001.00107

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