Wenjie Yan

Shanghai Key Laboratory Of Molecular Catalysis And Innovative Materials, MOE Key Laboratory Of Computational Physical Sciences
Shanghai, 200433, China

Last Updated: 09/26/2026

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Found 14 publications

In search of density functional approximations for accurate evaluation of NMR shielding constants for main-group nuclei: Analytic derivatives, benchmarking, and insights from density-corrected density functional theory.

In search of density functional approximations for accurate evaluation of NMR shielding constants for main-group nuclei: Analytic derivatives, benchmarking, and insights from density-corrected density functional theory.

Journal: The Journal of chemical physics

Published: February 20, 2026

White matter integrity and its correlation with symptom severity in adolescents with high-functioning autism spectrum disorder.

White matter integrity and its correlation with symptom severity in adolescents with high-functioning autism spectrum disorder.

Journal: Asian journal of psychiatry

Published: December 22, 2025

Synergistic effects of nanoplastics and BDE-47 on glutathione dysregulation in rice: Insights from integrated multi-omics and computational modeling.

Synergistic effects of nanoplastics and BDE-47 on glutathione dysregulation in rice: Insights from integrated multi-omics and computational modeling.

Journal: Journal of environmental sciences (China)

Published: May 19, 2025

Investigating Resting-State Brain Activity in Adolescents with High-Functioning Autism Spectrum Disorder: Linking Fractional Amplitude of Low-Frequency Fluctuation to Clinical Symptoms.

Investigating Resting-State Brain Activity in Adolescents with High-Functioning Autism Spectrum Disorder: Linking Fractional Amplitude of Low-Frequency Fluctuation to Clinical Symptoms.

Journal: Journal of autism and developmental disorders

Published: April 25, 2025

Reconstructing Pristine Molecular Orbitals from Scanning Tunneling Microscope Images via Artificial Intelligence Approaches.

Reconstructing Pristine Molecular Orbitals from Scanning Tunneling Microscope Images via Artificial Intelligence Approaches.

Journal: JACS Au

Published: March 18, 2025

X2-PEC: A Neural Network Model Based on Atomic Pair Energy Corrections.

X2-PEC: A Neural Network Model Based on Atomic Pair Energy Corrections.

Journal: Journal of computational chemistry

Published: February 10, 2025

Effects of immersive virtual reality training on the adaptive skills of children and adolescents with high functioning autism spectrum disorder: a mixed-methods pre-post study.

Effects of immersive virtual reality training on the adaptive skills of children and adolescents with high functioning autism spectrum disorder: a mixed-methods pre-post study.

Journal: Frontiers in psychiatry

Published: February 03, 2025

Heteroatom Introduction and Electrochemical Reconstruction on Heterostructured Co-Based Electrocatalysts for Hydrogenation of Quinolines.

Heteroatom Introduction and Electrochemical Reconstruction on Heterostructured Co-Based Electrocatalysts for Hydrogenation of Quinolines.

Journal: Small (Weinheim an der Bergstrasse, Germany)

Published: December 24, 2024

Narrative generation and narrative recall recruit different executive functions in preschoolers with and without developmental language disorder.

Narrative generation and narrative recall recruit different executive functions in preschoolers with and without developmental language disorder.

Journal: Clinical linguistics & phonetics

Published: December 20, 2024

X2-GNN: A Physical Message Passing Neural Network with Natural Generalization Ability to Large and Complex Molecules.

X2-GNN: A Physical Message Passing Neural Network with Natural Generalization Ability to Large and Complex Molecules.

Journal: The journal of physical chemistry letters

Published: December 13, 2024

Constructing Accurate and Efficient General-Purpose Atomistic Machine Learning Model with Transferable Accuracy for Quantum Chemistry.

Constructing Accurate and Efficient General-Purpose Atomistic Machine Learning Model with Transferable Accuracy for Quantum Chemistry.

Journal: Journal of chemical theory and computation

Published: October 31, 2024

The value of a nomogram model based on CT imaging features in differentiating duodenal gastrointestinal stromal tumors from pancreatic head neuroendocrine tumors.

The value of a nomogram model based on CT imaging features in differentiating duodenal gastrointestinal stromal tumors from pancreatic head neuroendocrine tumors.

Journal: Abdominal radiology (New York)

Published: July 09, 2024

Showing 1-12 of 14

Last Updated: 09/26/2026