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csir - national chemical laboratory (ncl)

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发表时间

Machine Learning Descriptors for CO2 Capture Materials CO2捕集材料的机器学习描述符

IF4.6

2025-02-01

1

OAAI

Orhan, Ibrahim B.; Zhao, Yuankai; Babarao, Ravichandar; Thornton, Aaron W.; Le, Tu C.

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Surface Electronic Properties-Driven Electrocatalytic Nitrogen Reduction on Metal-Conjugated Porphyrin 2D-MOFs 金属共轭卟啉2D-MOFs表面电子性质驱动的电催化氮还原

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2024-02-12

9

PREAI

Maibam, Ashakiran; Orhan, Ibrahim B.; Krishnamurty, Sailaja; Russo, Salvy P.; Babarao, Ravichandar

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Accelerating the prediction of CO2 capture at low partial pressures in metal-organic frameworks using new machine learning descriptors 使用新的机器学习描述符加速预测金属有机框架中低分压下的CO2捕获

COMMUNICATIONS CHEMISTRY

IF6.2

2023-10-03

16

OAAI

Orhan, Ibrahim B.; Le, Tu C.; Babarao, Ravichandar; Thornton, Aaron W.

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Characterising a protic ionic liquid library with applied machine learning algorithms

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2022-12-01

9

PREAI

Brown, Stuart J.; Yalcin, Dilek; Pandiancherri, Shveta; Le, Tu C.; Orhan, Ibrahim; Hearn, Kyle; Han, Qi; Drummond, Calum J.; Greaves, Tamar L.

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Prediction of O2/N2 Selectivity in Metal-Organic Frameworks via High-Throughput Computational Screening and Machine Learning 基于高通量计算筛选和机器学习的金属有机框架O2/N2选择性预测

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2021-12-20

41

PREAI

Orhan, Ibrahim B.; Daglar, Hilal; Keskin, Seda; Le, Tu C.; Babarao, Ravichandar

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