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CORC

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Structural and electronic properties of Ta2O5 with one formula unit 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 230
作者:  Tong, Yangwu;  Tang, Huimin;  Yang, Yong
收藏  |  浏览/下载：62/0  |  提交时间：2023/11/17
First-principles study of phase transition of BaF2 under high pressue 期刊论文
ACTA PHYSICA SINICA, 2022, 卷号: 71, 期号: 1, 页码: 8
作者:  Tian Cheng;  Lan Jian-Xiong;  Wang Cang-Long;  Zhai Peng-Fei;  Liu Jie
收藏  |  浏览/下载：17/0  |  提交时间：2022/04/11
A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 3, 页码: 35602
作者:  Chen, Yue;  Chen, Wei;  Chen, Xiaosong
收藏  |  浏览/下载：4/0  |  提交时间：2023/01/16
Interaction and Mechanism between Imidazolium Ionic Liquids and the Zwitterionic Amino Acid Tyr: a DFT Study 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 10
作者:  Wu, Zhiwei;  Ding, Weilu;  Zhang, Yaqin;  Wang, Yanlei;  He, Hongyan
收藏  |  浏览/下载：23/0  |  提交时间：2021/08/31
Many-core acceleration of the first-principles all-electron quantum perturbation calculations 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 267, 页码: 8
作者:  Shang, Honghui;  Duan, Xiaohui;  Li, Fang;  Zhang, Libo;  Xu, Zhiqian
收藏  |  浏览/下载：49/0  |  提交时间：2021/12/01
Prediction of the Liquid-Liquid Extraction Properties of Imidazolium-Based Ionic Liquids for the Extraction of Aromatics from Aliphatics 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 卷号: 61, 期号: 7, 页码: 3376-3385
作者:  Yu, Tianhao;  Olsson, Emilia;  Lian, Guoping;  Liu, Lei;  Huo, Feng
收藏  |  浏览/下载：26/0  |  提交时间：2021/08/31
Controlled synthesis and Raman study of a 2D antiferromagnetic P-type semiconductor: alpha-MnSe dagger 期刊论文
NANOSCALE, 2021, 页码: 12
作者:  Li, Ningning;  Zhu, Leilei;  Shang, Honghui;  Wang, Feng;  Zhang, Yu
收藏  |  浏览/下载：21/0  |  提交时间：2021/12/01
Anharmonic Raman spectra simulation of crystals from deep neural networks 期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 3, 页码: 6
作者:  Shang, Honghui;  Wang, Haidi
收藏  |  浏览/下载：16/0  |  提交时间：2021/12/01
Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 258, 页码: 11
作者:  Shang, Honghui;  Liang, WanZhen;  Zhang, Yunquan;  Yang, Jinlong
收藏  |  浏览/下载：147/0  |  提交时间：2021/12/01
The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set 期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 1, 页码: 10
作者:  Shang, Honghui
收藏  |  浏览/下载：21/0  |  提交时间：2021/12/01

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