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Atomic mechanisms of diopside (CaMgSi2O6) surface1 hydroxylation

Mendeley Data2026-04-09 收录

矿物表面反应

计算地球化学

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https://data.mendeley.com/datasets/s2t87s98mf/1 数据链接链接失效反馈

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资源简介：

This dataset provides the supplementary computational data for the manuscript submitted to Geochimica et Cosmochimica Acta

应用场景：

放射性核素吸附

矿物表面反应

Dataset of outputs produced by DFT and KMC simulation described in the associated paper. KMC data: Adsorption distribution (Ad_mov_01.pdb to Ad_mov_10.pdb) Surface nanotopography (surface_1.pdb) Stati

DataCite Commons2022-11-17 更新80

Toy Train from Toy trains, loaded dice and the origin of life: dimerization on mineral surfaces under thermochemical-pH periodic drive with Gaussian inputs

反应模拟

矿物表面反应

XPPAUT code for equations 2.1-2.3

Mendeley Data2024-06-29 更新50

Lead Partitioning on Birnessite during Pre-Phase Transition

重金属吸附

矿物表面反应

Data of "Lead Partitioning on Birnessite during Pre-Phase Transition"

Mendeley Data30

Ab Initio Calculation of Equilibrium Isotopic Fractionations of Potassium and Rubidium in Minerals and Water

同位素分馏

计算地球化学

We used first-principle approaches to calculate the equilibrium isotopic fractionation factors of potassium (K) and rubidium (Rb) in a variety of minerals of geological relevance (orthoclase, albite,

NIAID Data Ecosystem50

Heterogeneous and retarded phase transformation of ferrihydrite on montmorillonite surface: the important role of surface interactions supplemental materials

矿物表面反应

相变动力学

The supplemental materials of the paper called Heterogeneous and retarded phase transformation of ferrihydrite on montmorillonite surface: the important role of surface interactions

Mendeley Data30

Atomic mechanisms of diopside (CaMgSi2O6) surface1 hydroxylation

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