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Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
Purans, J., Menushenkov, A. P., Besedin, S. P., Ivanov, A. A., Minkov, V. S., Pudza, I., Kuzmin, A., Klementiev, K. V., Pascarelli, S., Mathon, O., Rosa, A. D., Irifune, T., Eremets, M. I.
Published in Nature communications (19.03.2021)
Published in Nature communications (19.03.2021)
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Fundamental Understanding of Electronic Structure in FeN4 Site on Electrocatalytic Activity via dz2‐Orbital‐Driven Charge Tuning for Acidic Oxygen Reduction
Li, Xueli, Chen, Tengge, Yang, Bolong, Xiang, Zhonghua
Published in Angewandte Chemie International Edition (11.04.2023)
Published in Angewandte Chemie International Edition (11.04.2023)
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Transition metal nitroprussides: Crystal and electronic structure, and related properties
Reguera, Leslie, Avila, Yosuan, Reguera, Edilso
Published in Coordination chemistry reviews (01.05.2021)
Published in Coordination chemistry reviews (01.05.2021)
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ANTARES: Space-resolved electronic structure
Avila, J., Lorcy, S., Dudin, P.
Published in Journal of electron spectroscopy and related phenomena (01.07.2023)
Published in Journal of electron spectroscopy and related phenomena (01.07.2023)
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A New Look at Molecular and Electronic Structure of Homoleptic Diiron(II,II) Complexes with N,N‐Bidentate Ligands: Combined Experimental and Theoretical Study
Korona, Krzesimir, Terlecki, Michał, Justyniak, Iwona, Magott, Michał, Żukrowski, Jan, Kornowicz, Arkadiusz, Pinkowicz, Dawid, Kubas, Adam, Lewiński, Janusz
Published in Chemistry : a European journal (15.07.2022)
Published in Chemistry : a European journal (15.07.2022)
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Diabatic and adiabatic representations: Electronic structure caveats
Yarkony, David R., Xie, Changjian, Zhu, Xiaolei, Wang, Yuchen, Malbon, Christopher L., Guo, Hua
Published in Computational and theoretical chemistry (15.03.2019)
Published in Computational and theoretical chemistry (15.03.2019)
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Equilibrium configurations and electronic structure of fullerene ultrathin films on SrTiO3(001) surface
Zhang, Wenxuan, Wang, Xutao, Liu, Ningning, Wang, Jinyue, Qu, Yueqiao, Guan, Dan-Dan, Wang, Shiyong, Zheng, Hao, Li, Yao-Yi, Liu, Canhua, Jia, Jin-Feng
Published in Applied surface science (30.10.2023)
Published in Applied surface science (30.10.2023)
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Role of Ce 4f States in the Electronic Structure and Photoelectrochemical Activity of Brannerite CeTi2O6–X
Hachemi, Cyril, Debbichi, Mourad, Galipaud, Jules, Mesbah, Adel, Aizac, Yoann, Badawi, Michael, Geantet, Christophe, Prévot, Mathieu S., Cardenas, Luis
Published in Chemistry of materials (22.07.2025)
Published in Chemistry of materials (22.07.2025)
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Diversity of TiO 2 : Controlling the Molecular and Electronic Structure of Atomic-Layer-Deposited Black TiO 2
Ali-Löytty, Harri, Hannula, Markku, Saari, Jesse, Palmolahti, Lauri, Bhuskute, Bela D., Ulkuniemi, Riina, Nyyssönen, Tuomo, Lahtonen, Kimmo, Valden, Mika
Published in ACS applied materials & interfaces (23.01.2019)
Published in ACS applied materials & interfaces (23.01.2019)
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Resonant inelastic X-ray scattering determination of the electronic structure of oxyhemoglobin and its model complex
Yan, James J., Kroll, Thomas, Baker, Michael L., Wilson, Samuel A., Decréau, Richard, Lundberg, Marcus, Sokaras, Dimosthenis, Glatzel, Pieter, Hedman, Britt, Hodgson, Keith O., Solomon, Edward I.
Published in Proceedings of the National Academy of Sciences - PNAS (19.02.2019)
Published in Proceedings of the National Academy of Sciences - PNAS (19.02.2019)
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Revisiting the NH3-SCR performance of MnO2 with different crystal phases: From electronic structure to catalytic activity
Yue, Yi, Xiong, Shangchao, Ou, Hongjun, Yang, Yi, Sun, Xiaoyu, Wang, Houlin, Xi, Yingwei, Gong, Zhengjun, Chen, Jianjun, Li, Junhua
Published in Applied catalysis. B, Environmental (01.01.2026)
Published in Applied catalysis. B, Environmental (01.01.2026)
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Tailoring the Electronic Structure and Properties of Graphdiyne by Cyano Groups
Gao, Lei, Wang, Shuailong, Wang, Fan, Yang, Ze, Li, Xiaodong, Gao, Jingchi, Fazzi, Daniele, Ye, Xiang, Wang, Xuebin, Huang, Changshui
Published in ACS nano (05.11.2024)
Published in ACS nano (05.11.2024)
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Electronic structure and reactivity of tirapazamine as a radiosensitizer
Romero, José, Maihom, Thana, Limão-Vieira, Paulo, Probst, Michael
Published in Journal of molecular modeling (01.06.2021)
Published in Journal of molecular modeling (01.06.2021)
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