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The Journal of Chemical Physics
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January 6, 2026
An 8-dimensional symmetry-adapted neural network potential energy surface for H2 dissociative chemisorption on hexagonal boron nitride ortho site with explicit surface atom motion
Daniil Kargin, Yunpeng Lu
Nanoscale
|
September 5, 2024
A controllable interlayer shielding effect in twisted multilayer graphene quantum dots
Xian Wang, Yunpeng Lu
Journal of Chemical Information and Modeling
|
October 13, 2025
Exploring the Effectiveness of Three-Dimensional Molecular Representations in Caco-2 Permeability Prediction
Ping Boon Ng, Yunpeng Lu
Journal of Chemical Information and Modeling
|
August 15, 2023
Evaluating the Use of Graph Neural Networks and Transfer Learning for Oral Bioavailability Prediction
Sherwin S S Ng, Yunpeng Lu
The Journal of Chemical Physics
|
June 20, 2025
Tunable layer-specific polarizability in twisted multilayer graphene flakes capped with hexagonal boron nitride
Xian Wang, Wenfeng Guang, Yunpeng Lu
The Journal of Chemical Physics
|
July 13, 2011
Full-dimensional time-dependent wave packet dynamics of H2 + D2 reaction
Hongwei Song, Yunpeng Lu, Soo-Y Lee
The Journal of Chemical Physics
|
March 27, 2012
Fully converged integral cross sections of collision induced dissociation, four-center, and single exchange reactions, and accuracy of the centrifugal sudden approximation in H2 + D2 reaction
Hongwei Song, Yunpeng Lu, Soo-Y Lee
ACS Omega
|
September 5, 2022
<i>LGB-Stack</i>: Stacked Generalization with <i>LightGBM</i> for Highly Accurate Predictions of Polymer Bandgap
Kai Leong Goh, Atsushi Goto, Yunpeng Lu
The Science of the Total Environment
|
August 16, 2023
In-situ retention of nitrogen, phosphorus in agricultural drainage and soil nutrients by biochar at different temperatures and the effects on soil microbial response
Yufei Zhao, Yunpeng Lu, Haifeng Zhuang, et al.
The Journal of Chemical Physics
|
January 18, 2006
A full dimensional time-dependent wave packet study for the H4 four-center, collision induced dissociation, and single exchange reactions: reaction probabilities for J=0
Yunpeng Lu, Soo-Y Lee, Dong H Zhang
Page
of 9
Search research articles
Search
Showing results (1-10 of 83) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
January 6, 2026
An 8-dimensional symmetry-adapted neural network potential energy surface for H2 dissociative chemisorption on hexagonal boron nitride ortho site with explicit surface atom motion
Daniil Kargin, Yunpeng Lu
Nanoscale
|
September 5, 2024
A controllable interlayer shielding effect in twisted multilayer graphene quantum dots
Xian Wang, Yunpeng Lu
Journal of Chemical Information and Modeling
|
October 13, 2025
Exploring the Effectiveness of Three-Dimensional Molecular Representations in Caco-2 Permeability Prediction
Ping Boon Ng, Yunpeng Lu
Journal of Chemical Information and Modeling
|
August 15, 2023
Evaluating the Use of Graph Neural Networks and Transfer Learning for Oral Bioavailability Prediction
Sherwin S S Ng, Yunpeng Lu
The Journal of Chemical Physics
|
June 20, 2025
Tunable layer-specific polarizability in twisted multilayer graphene flakes capped with hexagonal boron nitride
Xian Wang, Wenfeng Guang, Yunpeng Lu
The Journal of Chemical Physics
|
July 13, 2011
Full-dimensional time-dependent wave packet dynamics of H2 + D2 reaction
Hongwei Song, Yunpeng Lu, Soo-Y Lee
The Journal of Chemical Physics
|
March 27, 2012
Fully converged integral cross sections of collision induced dissociation, four-center, and single exchange reactions, and accuracy of the centrifugal sudden approximation in H2 + D2 reaction
Hongwei Song, Yunpeng Lu, Soo-Y Lee
ACS Omega
|
September 5, 2022
<i>LGB-Stack</i>: Stacked Generalization with <i>LightGBM</i> for Highly Accurate Predictions of Polymer Bandgap
Kai Leong Goh, Atsushi Goto, Yunpeng Lu
The Science of the Total Environment
|
August 16, 2023
In-situ retention of nitrogen, phosphorus in agricultural drainage and soil nutrients by biochar at different temperatures and the effects on soil microbial response
Yufei Zhao, Yunpeng Lu, Haifeng Zhuang, et al.
The Journal of Chemical Physics
|
January 18, 2006
A full dimensional time-dependent wave packet study for the H4 four-center, collision induced dissociation, and single exchange reactions: reaction probabilities for J=0
Yunpeng Lu, Soo-Y Lee, Dong H Zhang
Page
of 9