Publications by authors named "Junbo Lu"

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E
Experimental determination of structural motifs of interference-free water undecamer cluster (HO).
Tiantong Wang, Yang-Yang Zhang, Shuai Jiang, Wenhui Yan, Shangdong Li, Jun-Bo Lu

Nat Commun· December 2025

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Molecular Uranium Dioxide-Mediated CO Photoreduction.
Xue-Lian Jiang, Jia Zhuang, Guohai Deng, Jun-Bo Lu, Chongyang Zhao

J Am Chem Soc· February 2025

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Norm-Conserving 5f-in-Core Pseudopotentials and Gaussian Basis Sets Optimized for Tri- and Tetra-Valent Actinides (An = Pa-Lr).
Jun-Bo Lu, Yang-Yang Zhang, Jian-Biao Liu, Jun Li

J Chem Theory Comput· January 2025

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Seasonal fluctuation of total water intake and hydration status among young men and women: a prospective cohort study.
Jianfen Zhang, Na Zhang, Junbo Lu, Shufang Liu, Yongwei Lin

Front Nutr· January 2025

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Development of Multiscale Force Field for Actinide (An) Solutions.
Junjie Song, Xiang Li, Xiaocheng Xu, Junbo Lu, Hanshi Hu

J Chem Theory Comput· November 2024

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Improved Gaussian basis sets for norm-conserving 4f-in-core pseudopotentials of trivalent lanthanides (Ln = Ce-Lu).
Jun-Bo Lu, Yang-Yang Zhang, Xue-Lian Jiang, Lian-Wei Ye, Jun Li

J Chem Phys· October 2024

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Is pentavalent Pr(V) feasible in solid CsPrF?
Lian-Wei Ye, Zi-He Zhang, Yang He, Shi-Ru Wei, Jun-Bo Lu

Dalton Trans· September 2024

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Structures of Th aqueous solutions: insights from AIMD and metadynamics simulations.
Yang He, Jun-Bo Lu, Yang-Yang Zhang, Han-Shi Hu, Jun Li

Phys Chem Chem Phys· September 2024

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Correction to "Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy".
Richard C Shiery, John L Fulton, Mahalingam Balasubramanian, Manh-Thuong Nguyen, Jun-Bo Lu

Inorg Chem· July 2024

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Seasonality Affects Fluid Intake Behaviors among Young Adults in Hebei, China.
Yongwei Lin, Na Zhang, Jianfen Zhang, Junbo Lu, Shufang Liu

Nutrients· May 2024

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The association between hydration state and the metabolism of phospholipids and amino acids among young adults: a metabolomic analysis.
Yongwei Lin, Na Zhang, Jianfen Zhang, Junbo Lu, Shufang Liu

Curr Dev Nutr· March 2024

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Spectroscopic and Theoretical Identifications of Two Structural Motifs of (HO) Cluster.
Yang-Yang Zhang, Huijun Zheng, Tiantong Wang, Shuai Jiang, Wenhui Yan, Jun-Bo Lu

J Phys Chem Lett· March 2024

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Analysis on fluid intake and urination behaviors among the elderly in five cities in China: a cross-sectional study.
Yongye Song, Yue Zhang, Yan Liu, Jianfen Zhang, Junbo Lu

Front Nutr· January 2024

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On the highest oxidation states of the actinoids in AnO molecules (An = Ac - Cm): A DMRG-CASSCF study.
Jun-Bo Lu, Xue-Lian Jiang, Jia-Qi Wang, Han-Shi Hu, W H Eugen Schwarz

J Comput Chem· January 2023

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Norm-Conserving 4f-in-Core Pseudopotentials and Basis Sets Optimized for Trivalent Lanthanides (Ln = Ce-Lu).
Jun-Bo Lu, Xue-Lian Jiang, Han-Shi Hu, Jun Li

J Chem Theory Comput· January 2023

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Theoretical prediction of a graphene-like 2D uranyl material with p-orbital antiferromagnetism.
Xiao-Kun Zhao, Chang-Su Cao, Jin-Cheng Liu, Jun-Bo Lu, Jun Li

Chem Sci· July 2022

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Ultra-Efficient Americium/Lanthanide Separation through Oxidation State Control.
Zhipeng Wang, Jun-Bo Lu, Xue Dong, Qiang Yan, Xiaogui Feng

J Am Chem Soc· April 2022

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Electronic Structure and Spectroscopic Properties of Group-7 Tri-Oxo-Halides MOX (M = Mn-Bh, X = F-Ts).
Xue-Lian Jiang, Cong-Qiao Xu, Jun-Bo Lu, Chang-Su Cao, Hubert Schmidbaur

Inorg Chem· July 2021

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Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments.
Jun-Bo Lu, David C Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu

J Chem Theory Comput· June 2021

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C
Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy.
Richard C Shiery, John L Fulton, Mahalingam Balasubramanian, Manh-Thuong Nguyen, Jun-Bo Lu

Inorg Chem· March 2021

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Correction to Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments.
Jun-Bo Lu, David C Cantu, Manh-Thuong Nguyen, Jun Li, Vassiliki-Alexandra Glezakou

J Chem Theory Comput· July 2020

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Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments.
Jun-Bo Lu, David C Cantu, Manh-Thuong Nguyen, Jun Li, Vassiliki-Alexandra Glezakou

J Chem Theory Comput· November 2019

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The df-d Dative Bonding in a Uranium-Cobalt Heterobimetallic Complex for Efficient Nitrogen Fixation.
Jun-Bo Lu, Xue-Lu Ma, Jia-Qi Wang, Ya-Fei Jiang, Yong Li

Inorg Chem· June 2019

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Triple bonds between iron and heavier group-14 elements in the AFe(CO) complexes (A = Ge, Sn, and Pb).
Jia-Qi Wang, Chaoxian Chi, Jun-Bo Lu, Luyan Meng, Mingbiao Luo

Chem Commun (Camb)· May 2019

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Lanthanides with Unusually Low Oxidation States in the PrB and PrB Boride Clusters.
Xin Chen, Teng-Teng Chen, Wan-Lu Li, Jun-Bo Lu, Li-Juan Zhao

Inorg Chem· January 2019

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