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Ab initio study of water dissociation on a charged Pd(111) surface
Fidanyan, Karen, Liu, Guoyuan, Rossi, Mariana
Published in The Journal of chemical physics (07.03.2023)
Published in The Journal of chemical physics (07.03.2023)
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10,000-h-stable intermittent alkaline seawater electrolysis
Sha, Qihao, Wang, Shiyuan, Yan, Li, Feng, Yisui, Zhang, Zhuang, Li, Shihang, Guo, Xinlong, Li, Tianshui, Li, Hui, Zhuang, Zhongbin, Zhou, Daojin, Liu, Bin, Sun, Xiaoming
Published in Nature (London) (13.03.2025)
Published in Nature (London) (13.03.2025)
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Activation Volumes in Tribochemistry; What Do They Mean and How to Calculate Them?
Hopper, Nicholas, Rana, Resham, Sidoroff, François, Cayer-Barrioz, Juliette, Mazuyer, Denis, Tysoe, Wilfred T.
Published in Tribology letters (01.06.2025)
Published in Tribology letters (01.06.2025)
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First-principles study of interstitial Li effects on the electronic, structural and diffusion properties of highly boron-doped porous silicon
González, I., Nava, R., Cruz-Irisson, M., del Río, J.A., Ornelas-Cruz, I., Pilo, J., Rubo, Y.G., Trejo, A., Tagüeña, J.
Published in Journal of energy storage (20.11.2024)
Published in Journal of energy storage (20.11.2024)
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Ab initio study of water dissociation on a charged Pd(111) surface
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Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential
Anniés, Simon, Panosetti, Chiara, Voronenko, Maria, Mauth, Dario, Rahe, Christiane, Scheurer, Christoph
Published in Materials (03.11.2021)
Published in Materials (03.11.2021)
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ART‐RRT: As‐Rigid‐As‐Possible exploration of ligand unbinding pathways
Nguyen, Minh Khoa, Jaillet, Léonard, Redon, Stéphane
Published in Journal of computational chemistry (30.04.2018)
Published in Journal of computational chemistry (30.04.2018)
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Controlled Synthesis of Pure-Phase GaAs Nanowires through Shear Tension
Kang, Yubin, Na, Guangren, Wang, Dengkui, Tang, Jilong, Zhang, Lijun, Shan, Yabing, Cong, Chunxiao, Wei, Zhipeng, Chen, Rui
Published in ACS photonics (20.10.2021)
Published in ACS photonics (20.10.2021)
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The Prebiotic Pathway from P‑Bearing Iron Meteorites to Phosphates by DFT Modeling
Pantaleone, Stefano, Corno, Marta, Rimola, Albert, Balucani, Nadia, Ugliengo, Piero
Published in ACS earth and space chemistry (20.02.2025)
Published in ACS earth and space chemistry (20.02.2025)
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