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Journal of Chemical Theory and Computation
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May 6, 2014
Modeling Excited States in TiO<sub>2</sub> Nanoparticles: On the Accuracy of a TD-DFT Based Description
Enrico Berardo, Han-Shi Hu, Stephen A Shevlin, et al.
Inorganic Chemistry
|
March 26, 2024
Complexation of Hexavalent Neptunium(VI) with Oxydiacetic Acid and Its Amide Derivatives in Aqueous Solution: Spectrophotometry and DFT Calculations
Lei Xu, Xiao-Kun Zhao, Hong Cao, et al.
Angewandte Chemie (International Ed. in English)
|
April 3, 2023
A Strong-Acid-Resistant [Th<sub>6</sub> ] Cluster-Based Framework for Effectively and Size-Selectively Catalyzing Reductive Amination of Aldehydes with N,N-Dimethylformamide
Xue-Rui Tian, Zhi-Yu Jiang, Sheng-Li Hou, et al.
Angewandte Chemie (International Ed. in English)
|
November 27, 2019
Multiple Bonding Between Group 3 Metals and Fe(CO)<sub>3</sub><sup></sup>
Jia-Qi Wang, Chaoxian Chi, Han-Shi Hu, et al.
The Journal of Physical Chemistry. A
|
March 19, 2015
Infrared multiphoton dissociation spectroscopy of a gas-phase complex of uranyl and 3-oxa-glutaramide: an extreme red-shift of the [O═U═O](2+) asymmetric stretch
John K Gibson, Han-Shi Hu, Michael J Van Stipdonk, et al.
Journal of the American Chemical Society
|
April 5, 2024
Highly Stable 72-Nuclearity Nanocages for Efficient Synthesis of Aryl Nitriles via Ni/Cu Synergistic Catalysis
Ze-Long Liang, Zi-He Zhang, Yue-E Jiao, et al.
Inorganic Chemistry
|
October 8, 2024
Theoretical Design of Thorium Nitride MXenes
Zi-He Zhang, Shi-Ru Wei, Lian-Wei Ye, et al.
Nature Communications
|
January 22, 2014
Planar hexagonal B(36) as a potential basis for extended single-atom layer boron sheets
Zachary A Piazza, Han-Shi Hu, Wei-Li Li, et al.
The Journal of Physical Chemistry Letters
|
June 25, 2026
Observation of Structurally Diverse Complexes OCeNi(CO)<sub>3</sub><sup>-</sup> and CeNi(CO)<sub>3</sub><sup>-</sup> with the Shortest Ce-Ni Bond and Ce≡O Triple Bond
Chang-Yi Tian, Zong-Chang Han, Luyan Meng, et al.
Chemical Science
|
August 17, 2022
Theoretical prediction of a graphene-like 2D uranyl material with p-orbital antiferromagnetism
Xiao-Kun Zhao, Chang-Su Cao, Jin-Cheng Liu, et al.
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Search research articles
Search
Showing results (41-50 of 98) with videos related to
Sort By:
Page
of 10
Journal of Chemical Theory and Computation
|
May 6, 2014
Modeling Excited States in TiO<sub>2</sub> Nanoparticles: On the Accuracy of a TD-DFT Based Description
Enrico Berardo, Han-Shi Hu, Stephen A Shevlin, et al.
Inorganic Chemistry
|
March 26, 2024
Complexation of Hexavalent Neptunium(VI) with Oxydiacetic Acid and Its Amide Derivatives in Aqueous Solution: Spectrophotometry and DFT Calculations
Lei Xu, Xiao-Kun Zhao, Hong Cao, et al.
Angewandte Chemie (International Ed. in English)
|
April 3, 2023
A Strong-Acid-Resistant [Th<sub>6</sub> ] Cluster-Based Framework for Effectively and Size-Selectively Catalyzing Reductive Amination of Aldehydes with N,N-Dimethylformamide
Xue-Rui Tian, Zhi-Yu Jiang, Sheng-Li Hou, et al.
Angewandte Chemie (International Ed. in English)
|
November 27, 2019
Multiple Bonding Between Group 3 Metals and Fe(CO)<sub>3</sub><sup></sup>
Jia-Qi Wang, Chaoxian Chi, Han-Shi Hu, et al.
The Journal of Physical Chemistry. A
|
March 19, 2015
Infrared multiphoton dissociation spectroscopy of a gas-phase complex of uranyl and 3-oxa-glutaramide: an extreme red-shift of the [O═U═O](2+) asymmetric stretch
John K Gibson, Han-Shi Hu, Michael J Van Stipdonk, et al.
Journal of the American Chemical Society
|
April 5, 2024
Highly Stable 72-Nuclearity Nanocages for Efficient Synthesis of Aryl Nitriles via Ni/Cu Synergistic Catalysis
Ze-Long Liang, Zi-He Zhang, Yue-E Jiao, et al.
Inorganic Chemistry
|
October 8, 2024
Theoretical Design of Thorium Nitride MXenes
Zi-He Zhang, Shi-Ru Wei, Lian-Wei Ye, et al.
Nature Communications
|
January 22, 2014
Planar hexagonal B(36) as a potential basis for extended single-atom layer boron sheets
Zachary A Piazza, Han-Shi Hu, Wei-Li Li, et al.
The Journal of Physical Chemistry Letters
|
June 25, 2026
Observation of Structurally Diverse Complexes OCeNi(CO)<sub>3</sub><sup>-</sup> and CeNi(CO)<sub>3</sub><sup>-</sup> with the Shortest Ce-Ni Bond and Ce≡O Triple Bond
Chang-Yi Tian, Zong-Chang Han, Luyan Meng, et al.
Chemical Science
|
August 17, 2022
Theoretical prediction of a graphene-like 2D uranyl material with p-orbital antiferromagnetism
Xiao-Kun Zhao, Chang-Su Cao, Jin-Cheng Liu, et al.
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of 10