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5 results in Authors: Jun-Bo Lu

Theoretical and Computational Chemistry

Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments

Jun-Bo Lu, David Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu, Vassiliki-Alexandra Glezakou, Roger Rousseau, Jun Li

Version 1 posted 11 January 2021

580

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H2 Formation Holds the Key to Opening the Fe Coordination Sites of Nitrogenase FeMo-cofactor for Dinitrogen Activation

Yong Li, Wan-Lu Li, Jin-Cheng Liu, Jun-Bo Lu, W. H. Eugen Schwarz, Lyudmila V. Moskaleva, Jun Li

Version 1 posted 29 September 2020

620

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Theoretical and Computational Chemistry

Norm-Conserving 4f-in-core Pseudopotentials and Basis Sets Optimized for Trivalent Lanthanides

Jun-Bo Lu, Xue-Lian Jiang, Han-Shi Hu, Jun Li

Version 1 posted 13 September 2022

528

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Polymer Science

Visualized Degradation of Poly(alkynoate)s Toward Diols and Structure Controlled Multifunctional N-Heterocyclic Compounds

Bo Song, Tianwen Bai, Dongming Liu, Rong Hu, Dan Lu, Jun Ling, Anjun Qin, Ben Zhong Tang

Version 1 posted 14 October 2020

378

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Theoretical and Computational Chemistry

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

Version 1 posted 13 September 2024

52

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