王晓丽｜德州学院｜学者主页

期刊论文

2019

Pu-H2体系从头算分子动力学的研究

罗文浪，王青青，阮文，谢安东，石立君，王晓丽，高涛

《化学研究与应用》

2008

固态氮高压相的第一性原理研究

王晓丽

《吉林大学》

会议论文

2017

Controlling the magnetic anisotropy of single molecule with STM tip: The crucial roles of structural deformation and electronic states

Xiaoli Wang, Longqing Yang, Lvzhou Ye, Xiao Zheng, YiJing Yan

《第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法》

2016

机械拉伸分子结中磁各向异性诱导近藤峰劈裂的第一性原理研究

王晓丽，侯栋，郑晓，严以京

《中国化学会第30届学术年会-第十八分会：电子结构理论方法的发展与应用》

预印本

2026

Analytic first-order non-adiabatic coupling matrix elements of spin-adapted open-shell time-dependent density functional theory

Xiaoli Wang, Xingwen Wang, Zikuan Wang, Wenjian Liu

arXiv preprint

2026

Layer-Dependent Phonons, Excitons, and Magneto-Optical Phenomena in CrSBr: A Mini Review

Muhammad Aftab, Chinmay Kumar Mohanty, Zain Ashfaq, Warisha Mehmood, Xiaoli Wang, Clément Faugeras, Wajid Ali, Maciej R. Molas

arXiv preprint

2025

Unlock Anionic Behavior of Calcium Through Pressure Engineering

Yang Lv, Junwei Li, Jianfu Li, Yong Liu, Jianan Yuan, 1 Jiani Lin, Saori Kawaguchi-Imada, Qingyang Hu, Xiaoli Wang

arXiv preprint

2025

$La_3Pd_2NaO_9$: A High-Valent Insulating Palladate

Qingqing Yang, Ning Guo, Tieyan Chang, Zheng Guo, Xiaoli Wang, Chuanyan Fan, Chao Liu, Lu Han, Feiyu Li, Tao He, Qiang Zheng, Yu-Sheng Chen, Junjie Zhang

arXiv preprint

DOI

2024

Cascade of phase transitions and large magnetic anisotropy in a triangle-kagome-triangle trilayer antiferromagnet

Chao Liu, Tieyan Chang, Shilei Wang, Shun Zhou, Xiaoli Wang, Chuanyan Fan, Lu Han, Feiyu Li, Huifen Ren, Shanpeng Wang, Yu-Sheng Chen, Junjie Zhang

arXiv preprint

DOI

2024

Bulk Crystal Growth and Single-Crystal-to-Single-Crystal Phase Transitions in the Averievite CsClCu5V2O10

Chao Liu, Chao Ma, Tieyan Chang, Xiaoli Wang, Chuanyan Fan, Lu Han, Feiyu Li, Shanpeng Wang, Yu-Sheng Chen, Junjie Zhang

arXiv preprint

DOI

2024

Low-temperature aqueous solution growth of the acousto-optic TeO2 single crystals

Lu Han, Chao Liu, Xiaoli Wang, Feiyu Li, Chuanyan Fan, Junjie Zhang

arXiv preprint

DOI

2024

Binding memory of liquid molecules

Shiyi Qin, Zhi Yang, Huimin Liu, Xiaoli Wang, Shangguo Hou, Kai Huang

arXiv preprint

2024

Two-Dimensional Covalent Organic Frameworks Based on Copper Phthalocyanine Building Block and Phenyl Connector: First Principle Studies of Crystal, Electronic Structures, and Catalytic Performance of Carbon Dioxide Electroreduction

Yuexing Zhang, Junhao Peng, Guangsong Zhang, Xing‐Guo Zhang, Shuai Zhang, Qing Li, Guanfeng Tian, Xiaoli Wang, Ping Wu, Xueli Chen

SSRN Electronic Journal

DOI

2019

Reverse chemistry of iron in the deep Earth

Xiaoli Wang, Xiaolei Feng, Jianfu Li, Dalar Khodagholian, Jiani Lin, Matthew G. Jackson, Frank J. Spera, Simon A. T. Redfern, Maosheng Miao

arXiv preprint

2014

An embryo of protocell membrane: The capsule of graphene oxide

Zhan Li, Chunmei Wang, Longlong Tian, Jing Bai, Yang Zhao, Xin Zhang, Shiwei Cao, Wei Qi, Hongdeng Qiu, Suomin Wang, Keliang Shi, Youwen Xu, Zhang Mingliang, Bo Liu, Huijun Yao, Jie Liu, Wangsuo Wu, Xiaoli Wang

arXiv preprint

2012

Diamondoid Structure of Polymeric Nitrogen at High Pressures

Xiaoli Wang, Yanchao Wang, Maosheng Miao, Xin Zhong, Jian Lv, Jianfu Li, Li Chen, Chris J. Pickard, Yanming Ma

arXiv preprint

2012

High pressures make Hg a transition metal in a thermodynamically stable solid

Xiaoli Wang, Haiqing Lin, Yanming Ma, Mao-Sheng Miao

arXiv preprint

王晓丽

精选作品

期刊论文

Pu-H2体系从头算分子动力学的研究

固态氮高压相的第一性原理研究

会议论文

Controlling the magnetic anisotropy of single molecule with STM tip: The crucial roles of structural deformation and electronic states

机械拉伸分子结中磁各向异性诱导近藤峰劈裂的第一性原理研究

预印本

Analytic first-order non-adiabatic coupling matrix elements of spin-adapted open-shell time-dependent density functional theory

Layer-Dependent Phonons, Excitons, and Magneto-Optical Phenomena in CrSBr: A Mini Review

Unlock Anionic Behavior of Calcium Through Pressure Engineering

$La_3Pd_2NaO_9$: A High-Valent Insulating Palladate

Cascade of phase transitions and large magnetic anisotropy in a triangle-kagome-triangle trilayer antiferromagnet

Bulk Crystal Growth and Single-Crystal-to-Single-Crystal Phase Transitions in the Averievite CsClCu5V2O10

Low-temperature aqueous solution growth of the acousto-optic TeO2 single crystals

Binding memory of liquid molecules

Two-Dimensional Covalent Organic Frameworks Based on Copper Phthalocyanine Building Block and Phenyl Connector: First Principle Studies of Crystal, Electronic Structures, and Catalytic Performance of Carbon Dioxide Electroreduction

Reverse chemistry of iron in the deep Earth

An embryo of protocell membrane: The capsule of graphene oxide

Diamondoid Structure of Polymeric Nitrogen at High Pressures

High pressures make Hg a transition metal in a thermodynamically stable solid

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