Hua-qing Yang

Chengdu, 610065, China

Last Updated: 09/26/2026

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Found 18 publications

A theoretical study on the structural evolution and stability of PtxCuy heteronuclear clusters supported on the t-ZrO2(101) surface.

A theoretical study on the structural evolution and stability of PtxCuy heteronuclear clusters supported on the t-ZrO2(101) surface.

Journal: Physical chemistry chemical physics : PCCP

Published: April 22, 2026

Theoretical Insight into the Decomposition Mechanism of Formic Acid over Diatomic Pd2/NC Catalysts.

Theoretical Insight into the Decomposition Mechanism of Formic Acid over Diatomic Pd2/NC Catalysts.

Journal: Langmuir : the ACS journal of surfaces and colloids

Published: January 27, 2026

Theoretical Mechanism of Rh-Containing Species Catalyzing the Hydrogenolysis of Lignin Model Compounds Using -CαO-H and -Cα-H Groups as Superior H-Sources.

Theoretical Mechanism of Rh-Containing Species Catalyzing the Hydrogenolysis of Lignin Model Compounds Using -CαO-H and -Cα-H Groups as Superior H-Sources.

Journal: The journal of physical chemistry. B

Published: December 04, 2024

Theoretical Insight into the Mechanism for the Cellobiose-to-Sorbitol Hydrogenation Over Diatomic Ru2/NC Catalyst.

Theoretical Insight into the Mechanism for the Cellobiose-to-Sorbitol Hydrogenation Over Diatomic Ru2/NC Catalyst.

Journal: Langmuir : the ACS journal of surfaces and colloids

Published: November 18, 2024

Theoretical comparison of fructose with methylglucoside for the production of formate and levulinate catalyzed by Brønsted acids in a methanol solution.

Theoretical comparison of fructose with methylglucoside for the production of formate and levulinate catalyzed by Brønsted acids in a methanol solution.

Journal: Physical chemistry chemical physics : PCCP

Published: May 29, 2024

Mechanism of CO2 in promoting the hydrogenation of levulinic acid to γ-valerolactone catalyzed by RuCl3 in aqueous solution.

Mechanism of CO2 in promoting the hydrogenation of levulinic acid to γ-valerolactone catalyzed by RuCl3 in aqueous solution.

Journal: Physical chemistry chemical physics : PCCP

Published: May 13, 2024

Cooperative Catalysis Mechanism of Brønsted and Lewis Acids from Al(OTf)3 with Methanol for β-Cellobiose-to-Fructose Conversion: An Experimental and Theoretical Study.

Cooperative Catalysis Mechanism of Brønsted and Lewis Acids from Al(OTf)3 with Methanol for β-Cellobiose-to-Fructose Conversion: An Experimental and Theoretical Study.

Journal: The journal of physical chemistry. A

Published: July 27, 2023

Coordination of sorbitol to Ga(OTf)3 in the liquid phase: an experimental and theoretical study.

Coordination of sorbitol to Ga(OTf)3 in the liquid phase: an experimental and theoretical study.

Journal: Physical chemistry chemical physics : PCCP

Published: March 08, 2023

Mechanism of Preferential Hydrogenation of Hydroxymethyl Group to Aldehyde Group in 5-Hydroxymethylfurfural over W2 C-Based Catalyst.

Mechanism of Preferential Hydrogenation of Hydroxymethyl Group to Aldehyde Group in 5-Hydroxymethylfurfural over W2 C-Based Catalyst.

Journal: ChemSusChem

Published: January 25, 2022

Theoretical study on molecular mechanism of aerobic oxidation of 5-hydroxymethylfurfural to 2,5-diformyfuran catalyzed by VO2 + with counterpart anion in N,N-dimethylacetamide solution.

Theoretical study on molecular mechanism of aerobic oxidation of 5-hydroxymethylfurfural to 2,5-diformyfuran catalyzed by VO2 + with counterpart anion in N,N-dimethylacetamide solution.

Journal: RSC advances

Published: September 30, 2021

Mechanistic study of cellobiose conversion to 5-hydroxymethylfurfural catalyzed by a Brønsted acid with counteranions in an aqueous solution.

Mechanistic study of cellobiose conversion to 5-hydroxymethylfurfural catalyzed by a Brønsted acid with counteranions in an aqueous solution.

Journal: Physical chemistry chemical physics : PCCP

Published: April 21, 2020

Chitosan/Sulfobutylether-β-Cyclodextrin Nanoparticles for Ibrutinib Delivery: A Potential Nanoformulation of Novel Kinase Inhibitor.

Chitosan/Sulfobutylether-β-Cyclodextrin Nanoparticles for Ibrutinib Delivery: A Potential Nanoformulation of Novel Kinase Inhibitor.

Journal: Journal of pharmaceutical sciences

Published: April 17, 2019

Showing 1-12 of 18

Last Updated: 09/26/2026