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The Journal of Chemical Physics|May 30, 2006
Extensive ab initio study of the valence and low-lying Rydberg states of BBr including spin-orbit couplingXinzheng Yang, James E Boggs
The Journal of Chemical Physics|July 23, 2004
An ab initio study of the ground and valence excited states of GaFXinzheng Yang, Meirong Lin, Baozheng Zhang
Chemical Communications (Cambridge, England)|September 9, 2016
A mechanistic study and computational prediction of iron, cobalt and manganese cyclopentadienone complexes for hydrogenation of carbon dioxideHongyu Ge, Xiangyang Chen, Xinzheng Yang
Inorganic Chemistry|December 10, 2016
Computational Design of Cobalt Catalysts for Hydrogenation of Carbon Dioxide and Dehydrogenation of Formic AcidHongyu Ge, Yuanyuan Jing, Xinzheng Yang
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 15, 2017
Hydrogenation of Carbon Dioxide to Methanol Catalyzed by Iron, Cobalt, and Manganese Cyclopentadienone Complexes: Mechanistic Insights and Computational DesignHongyu Ge, Xiangyang Chen, Xinzheng Yang
Frontiers in Chemistry|October 2, 2019
Computational Prediction of Ammonia-Borane Dehydrocoupling and Transfer Hydrogenation of Ketones and Imines Catalyzed by SCS Nickel Pincer ComplexesBing Qiu, Wan Wang, Xinzheng Yang
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 12, 2016
Unexpected Direct Hydride Transfer Mechanism for the Hydrogenation of Ethyl Acetate to Ethanol Catalyzed by SNS Pincer Ruthenium ComplexesXiangyang Chen, Yuanyuan Jing, Xinzheng Yang
Chemical Communications (Cambridge, England)|August 15, 2023
Photocatalytic C-F alkylation of trifluoromethyls using o-phosphinophenolate: mechanistic insights and substrate predictionRongrong Li, Xinzheng Yang, Wei Guan
The Journal of Chemical Physics|July 23, 2004
Ground and valence excited states of BI: a MR-CISD+Q studyXinzheng Yang, Meirong Lin, Baozheng Zhang
Dalton Transactions (Cambridge, England : 2003)|November 23, 2022
Pyridine coordination enabled stepwise PT/ET N-H transfer and metal-independent C-C cleavage mechanism for Cu-mediated dehydroacylation of unstrained ketonesZhiyun Hu, Rongrong Li, Xinzheng Yang
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