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First Principles Study of Uranium Solubility in Gd2Zr2O7 Pyrochlore
Chen, Qing-yun, Shih, Kai-min, Meng, Chuan-min, Wang, Lie-lin, Xie, Hua, Wu, Tao
Published in Chinese journal of chemical physics (27.12.2015)
Published in Chinese journal of chemical physics (27.12.2015)
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First-principles simulations of vibrational states and spectra for H5+ and D5+ clusters using multiconfiguration time-dependent Hartree approach
Valdés, Álvaro, Prosmiti, Rita
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2014)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2014)
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Time-resolved photoabsorption in finite systems: A first-principles NEGF approach
Perfetto, E., Uimonen, A.-M., van Leeuwen, R., Stefanucci, G.
Published in Journal of physics. Conference series (01.03.2016)
Published in Journal of physics. Conference series (01.03.2016)
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Understanding of binding energy calibration in XPS of lanthanum oxide by in situ treatment
Li, Jerry Pui Ho, Zhou, Xiaohong, Pang, Yaoqi, Zhu, Liang, Vovk, Evgeny I., Cong, Linna, van Bavel, Alexander P., Li, Shenggang, Yang, Yong
Published in Physical chemistry chemical physics : PCCP (2019)
Published in Physical chemistry chemical physics : PCCP (2019)
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Defect induced, layer-modulated magnetism in ultrathin metallic PtSe2
Avsar, Ahmet, Ciarrocchi, Alberto, Pizzochero, Michele, Unuchek, Dmitrii, Yazyev, Oleg V., Kis, Andras
Published in Nature nanotechnology (01.07.2019)
Published in Nature nanotechnology (01.07.2019)
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Interaction of C^sub 60^ with Water: First-Principles Modeling and Environmental Implications
Choi, Ji Il, Snow, Samuel D, Kim, Jae-Hong, Jang, Seung Soon
Published in Environmental science & technology (03.02.2015)
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Published in Environmental science & technology (03.02.2015)
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Interaction of C sub( 60) with Water: First-Principles Modeling and Environmental Implications
Choi, Ji Il, Snow, Samuel D, Kim, Jae-Hong, Jang, Seung Soon
Published in Environmental science & technology (01.02.2015)
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Published in Environmental science & technology (01.02.2015)
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Multi-scale Calculation-Aided Composition Optimization Design of Low-Density and High-Strength Nickel-Based Superalloy
Zhao, Wenyuan, Ren, Qingguo, Yao, Zhihao, Zhao, Jie, Jiang, He, Dong, Jianxin
Published in Metallurgical and materials transactions. A, Physical metallurgy and materials science (01.10.2023)
Published in Metallurgical and materials transactions. A, Physical metallurgy and materials science (01.10.2023)
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Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids
Goldsmith, Bryan R, Peters, Baron, Johnson, J. Karl, Gates, Bruce C, Scott, Susannah L
Published in ACS catalysis (03.11.2017)
Published in ACS catalysis (03.11.2017)
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Ironation mechanism in vanadium pentoxide (V2O5) for iron battery application
Hembram, K.P.S.S., Kumar, Jagadish
Published in The Journal of physics and chemistry of solids (01.12.2023)
Published in The Journal of physics and chemistry of solids (01.12.2023)
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Layer Hall Effect in Multiferroic Two-Dimensional Materials
Feng, Yangyang, Dai, Ying, Huang, Baibiao, Kou, Liangzhi, Ma, Yandong
Published in Nano letters (14.06.2023)
Published in Nano letters (14.06.2023)
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Observation of Iron with Eight Coordination in Iron Trifluoride under High Pressure
Lu, Wencheng, Liu, Siyu, Zhou, Mi, Wang, Hongbo, Liu, Guangtao, Liu, Hanyu, Ma, Yanming
Published in Angewandte Chemie International Edition (15.04.2024)
Published in Angewandte Chemie International Edition (15.04.2024)
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