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Theoretical and Computational Chemistry

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Nianhan Tian

3 results in Authors: Nianhan Tian

Theoretical and Computational Chemistry

Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

Seoin Back, Junwoong Yoon, Nianhan Tian, Wen Zhong, Kevin Tran, Zachary Ulissi

Version 1 posted 21 May 2019

1,114

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Formation of carbon-induced nitrogen-centered radicals on titanium dioxide under illumination

Po-Wei Huang, Nianhan Tian, Tijana Rajh, Yu-Hsuan Liu, Giada Innocenti, Carsten Sievers, Andrew Medford, Marta Hatzell

Version 1 posted 22 June 2023

303

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Theoretical and Computational Chemistry

Screening and discovery of metal compound active sites for strong and selective adsorption of N2 in air

Nianhan Tian, Benjamin Comer, Andrew Medford

Version 1 posted 01 November 2023

177

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