Xin Xu - Publications, H-index & Citations

徐昕 (Xin Xu)

fudan university

68H指数

491论文数

2.4W被引数

收录论文 242

发表时间

Connectivity-aware million-scale kinetic screening of alloy configurations using extended mean-field microkinetics 基于扩展平均场微观动力学的大规模合金构型连通性感知动力学筛选

Chemical Engineering Science

IF4.3

2026-08-27

PREAI

Yaqing Wang; Tonghao Shen; Xin Xu

Pair-Density Functional Theory Based on Spin-Projected Unrestricted Hartree-Fock Method: A Density-Corrected Version 基于自旋投影无限制Hartree-Fock方法的成对密度泛函理论：一种密度校正版本

Journal of Computational Chemistry

IF4.8

2026-05-19

PREAI

Shirong Wang; Xin Xu

Extending the mean-field microkinetics for an accurate and efficient modeling of complex heterogeneous catalyst surfaces 扩展平均场微观动力学，以实现对复杂异质催化剂表面的准确且高效建模

Nature Communications

IF15.7

2026-03-26

OAAI

Yaqing Wang; Tonghao Shen; Yuqi Yang; Xin Xu

UTDA-xDH: Accurate Doublet–Doublet Excitation Energies via XYG3-Type Doubly Hybrid Density Functionals within the Unrestricted Tamm–Dancoff Approximation UTDA-xDH：通过无限制Tamm–Dancoff近似下的XYG3型双重杂化密度泛函计算精确的双重激发-双重激发能量

The Journal of Physical Chemistry Letters

IF0

2026-02-23

PREAI

Qinjie Yang; Xin Xu

Hydrogen-Bonding Networks Enabled by Trace Water for Morphological Design in Ternary Organic Solar Cells

ADVANCED SCIENCE

IF14.1

2026-01-01

OAAI

Ren, Yue; Sui, Ming-Yue; Geng, Yun; Qin, Rui-Cheng; Li, Ming-Yang; Sun, Guang-Yan; Xu, Xin

Precision Prediction of Nuclear Magnetic Resonance Shielding Constants and Chemical Shifts with XYG3-Type Doubly Hybrid Density Functionals 使用XYG3型双杂化密度泛函精确预测核磁共振屏蔽常数和化学位移

Precision Chemistry

IF6.2

2026-01-01

PREAI

Lai, Xinming; Yan, Wenjie; Xu, Xin

Reductive Fischer-Type Indole Synthesis Employing Carboxylic Acids as Surrogates of Aldehydes

CHINESE JOURNAL OF CHEMISTRY

IF5.5

2025-12-01

PREAI

Wang, Yan; Xu, Xin; Huang, Pei-Qiang

General Framework for Geometric Deep Learning on Tensorial Properties of Molecules and Crystals 分子和晶体张量性质的几何深度学习通用框架

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2025-12-01

PREAI

Yan, Wenjie; Lai, Xinming; Chen, Yicheng; Zhang, Wenhao; Wu, Jianming; Xu, Xin

Development of Shell-Space Electrostatic Potential Fitting Charges in a United-Atom Model for Amino Acids Simulations 壳空间静电势拟合电荷在氨基酸模拟的联合原子模型中的发展

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-12-01

PREAI

Li, Fengyu; Zhang, Yuwei; Xia, Fei; Xu, Xin

Beyond immobilization: critical roles of support materials in modulating heterogeneous molecular electrocatalysis 超越固定化：支撑材料在调控异相分子电催化中的关键作用

Phys. Chem. Chem. Phys.

IF2.9

2025-10-01

PREAI

Xin Xu; Ye Zhou; Jiong Wang

Structure-Based Discovery of Active Pan-KRas Inhibitors Targeting G12D Mutants by Enhanced Sampling Simulations 基于增强采样模拟的针对G12D突变体的活性泛KRas抑制剂的构象发现

JOURNAL OF PHYSICAL CHEMISTRY B

IF2.9

2025-09-01

PREAI

Zeng, Juan; Li, Li; Sun, Chi; Sheng, Shen; Tan, Yuhua; Chen, Jian; Xia, Fei; Deng, Xianming; Xu, Xin

Pulmonary arterial blowout syndrome as a serious adverse event in patients with advanced lung cancer: a 12-year retrospective study 肺动脉爆裂综合征作为晚期肺癌患者中的严重不良事件：一项12年回顾性研究

European Radiology

IF4.7

2025-08-30

PREAI

Xu Ma; Xin Xu; Li Zhang; Jie Zhang; Di Zheng; Jian Ni; Jiying Wang; Xiaoxia Chen; Ruowang Duan; Dong Yu; Bing Jie; Lingling Li; Siwen Sun; Chunxia Su; Sen Jiang

Plumbagin inhibits CYP2J/EETs metabolic pathway and leads to heart injury in cardiac organoids and rats 白屈菜红碱抑制CYP2J/EETs代谢通路，并导致心脏类器官和大鼠的心脏损伤。

Biochemical Pharmacology

IF5.6

2025-08-28

PREAI

Chenmeizi Liang; Qifan Qi; Bingyi Yao; Yuanjin Zhang; Yujia Yang; Junze Huang; Yifei Shen; Luping Zhao; Xin Xu; Xin Wang

Unveiling the Angstrom-Scale Interfacial Electron Spillover through the Metal/Electrolyte Interface 揭示金属/电解质界面处的埃级界面电子溢出现象

Journal of the American Chemical Society

IF15.6

2025-08-01

PREAI

Jun Yi; Yue-Jiao Zhang; Yi-Fan Huang; Jun-Rong Zheng; En-Ming You; Xiang Wang; Wei Lu; Petar M. Radjenovic; Meng Zhang; Sai Duan; Jian-Feng Li; Bing-Wei Mao; De-Yin Wu; Bin Ren; Wolfgang Schmickler; Alexei A. Kornyshev; Xin Xu; Xiang Zhang; Zhong-Qun Tian

Reconstructing Pristine Molecular Orbitals from Scanning Tunneling Microscope Images via Artificial Intelligence Approaches 通过人工智能方法从扫描隧道显微镜图像中重建原始分子轨道

JACS Au

IF8.7

2025-06-16