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D

Daiqian Xie

Nanjing University

49H指数
396论文数
8.8K被引数
收录论文 168
发表时间
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Quantum interference between direct and indirect reaction paths in the photodissociation of HODHOD光解离中直接和间接反应路径之间的量子干扰
errNature Chemistry
IF20.2
err2026-03-03
err0
PREAI
errJunyan Wang; Zijie Luo; Linsen Zhou; Xixi Hu; Zhenxing Li; Hua Guo; Shanyu Han; Daiqian Xie; Kaijun Yuan; Xueming Yang
err分享
err收藏
Photodissociation Dynamics of H2S via the 31 A′ State: Dominance of Dual Intersection-Induced Barriers
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-12-01
err0
PREAI
errLi, Xin; Wang, Junyan; Chen, Junjie; Han, Shanyu; Hu, Xixi; Xie, Daiqian
err分享
err收藏
Vibrationally Dependent Stereodynamic Control of Scattering Resonances in Cold CO + H2 Collisions振动依赖的立体动力学对冷CO + H2碰撞中散射共振的控制
errThe Journal of Physical Chemistry A
IF2.8
err2025-11-04
err0
PREAI
errZhenxuan Wei; Xixi Hu; Dongzheng Yang; Hua Guo; Daiqian Xie
err分享
err收藏
Full-Dimensional Time-Independent Quantum Dynamics Approach to Rovibrationally Inelastic Scattering between Triatomic and Diatomic Molecules: A Case Study for H2O + H2全维时间无关量子动力学方法在三角分子与双原子分子间转振非弹性散射中的应用：以H₂O + H₂为例
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errZhang, Tianyi; Wang, Junhua; Yang, Dongzheng; Xie, Daiqian
err分享
err收藏
Long-Range Interaction between Molecules with Electronic Degeneracy: Beyond the Born–Oppenheimer Approximation具有电子简并的分子之间的长程相互作用：超越玻恩-奥本海默近似
errJACS Au
IF8.7
err2025-09-25
err0
errOAAI
errYipeng Yu; Xixi Hu; Hua Guo; Daiqian Xie
err分享
err收藏
General reactive element-based machine learning potentials for heterogeneous catalysis基于通用反应性元素的机器学习势函数用于异质催化
errNature Catalysis
IF44.6
err2025-09-23
err0
PREAI
errChangxi Yang; Chenyu Wu; Wenbo Xie; Daiqian Xie; P. Hu
err分享
err收藏
Theoretical Studies on the Deacylation Stage of the Hydrolysis of PET Heptamer by PETasePET酶催化PET七聚体水解的去酰化阶段的理论研究
errChemical Research in Chinese Universities
IF3
err2025-08-26
err0
PREAI
errXuehui Guo; Yanzi Zhou; Daiqian Xie
err分享
err收藏
Revealing Transition State Signatures in Collisional Vibrational Quenching Aided by Conical Intersections揭示由锥形交叉辅助的碰撞振动猝灭中的过渡态特征
errphysical chemistry letters
IF0
err2025-07-19
err0
PREAI
errHanzi Zhang; Qixin Chen; Feng An; Hua Guo; Daiqian Xie; Weigao Xu; Xixi Hu; Shanyu Han
err分享
err收藏
QM/MM-MD Studies on the Degradation Mechanism and Size Effect of PET by PETasePETase介导的PET降解机制与尺寸效应的QM/MM-MD研究
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-05-22
err0
PREAI
errGuo, Xuehui; Xie, Daiqian
err分享
err收藏
Modeling Enzyme Reaction and Mutation by Direct Machine Learning/Molecular Mechanics Simulations通过直接机器学习/分子力学模拟对酶反应和突变进行建模
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-24
err0
PREAI
errSha, Xinhu; Chen, Zhuo; Xie, Daiqian; Zhou, Yanzi
err分享
err收藏
Templated Fabrication of DNA-Programmable Vesicles via Amphiphile-Functionalized Nanoparticles
errMACROMOLECULES
IF5.2
err2025-03-01
err0
PREAI
errTang, Hao; Qiu, Xiandeng; Xie, Daiqian; Wang, Rong
err分享
err收藏
Cold H + O2 collisions: Impact of resonances, geometric phase, and alignment
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-18
err0
PREAI
errWang, Junyan; Hu, Xixi; Guo, Hua; Xie, Daiqian
err分享
err收藏
Biomass-Derived Carbon With Large Interlayer Spacing for Anode of Potassium Ion Batteries用于钾离子电池负极的具有大层间间距的生物质衍生碳
errADVANCED MATERIALS
IF26.8
err2024-10-21
err9
PREAI
errWang, Yue; Zeng, Jinjue; Wang, Yanjun; Zhang, Chen; Wang, Qi; Gao, Lei; Sun, Dandan; Jiang, Xiangfen; Hu, Ming; Yang, Lijun; Xie, Daiqian; Hao, Yufeng; Hu, Zheng; Wang, Xuebin
err分享
err收藏
Theoretical Investigation of Rate Coefficients and Dynamical Mechanisms for N plus N plus N Three-Body Recombination Based on Full-Dimensional Potential Energy Surfaces
errMOLECULES
IF4.6
err2024-10-18
err0
errOAAI
errXu, Chong; Wei, Zhenxuan; Hu, Huayu; Hu, Xixi; Xie, Daiqian
err分享
err收藏
Full quantum calculations of the line shape for H2O perturbed by Ar at temperatures from 20 to 300 K
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-22
err0
PREAI
errChai, Shijie; Yu, Yipeng; Yang, Dongzheng; Zhou, Yanzi; Xie, Daiqian
err分享
err收藏
ABLRI: A program for calculating the long-range interaction energy between two monomers in their non-degenerate states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-01
err1
PREAI
errYu, Yipeng; Yang, Dongzheng; Hu, Xixi; Xie, Daiqian
err分享
err收藏
The microscopic formation mechanism of O+H2 products from photodissociation of H2O
errchinese journal of chemistry
IF10.3
err2024-05-01
err0
PREAI
errLi, Yubang; Hu, Xixi; Xie, Daiqian
err分享
err收藏
Full quantum scattering calculations of the line-shape parameters for the P and R branches of HF perturbed by Ar
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-25
err2
PREAI
errChai, Shijie; Yang, Dongzheng; Zhou, Yanzi; Xie, Daiqian
err分享
err收藏
Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O2 ⇆ HO plus O Reaction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-10
err7
PREAI
errWang, Junyan; An, Feng; Chen, Junjie; Hu, Xixi; Guo, Hua; Xie, Daiqian
err分享
err收藏
Direct characterization of shear phonons in layered materials by mechano-Raman spectroscopy
errNATURE PHOTONICS
IF32.9
err2023-03-30
err10
PREAI
errFang, Susu; Duan, Sai; Wang, Xingzhi; Chen, Sijie; Li, Li; Li, Hua; Jiang, Baichuan; Liu, Chuanhui; Wang, Nanyang; Zhang, Lei; Wen, Xinglin; Yao, Yagang; Zhang, Jun; Xie, Daiqian; Luo, Yi; Xu, Weigao
err分享
err收藏

研究方向

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合作学者
合作期刊
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Qihua Xiong
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E
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H 指数: 94 · 论文数: 872
P
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H 指数: 92 · 论文数: 418
J
Joel M. Bowman
H 指数: 89 · 论文数: 728
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