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CORC

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Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571
作者:  Hong QZ(洪启臻);  Storchi, Loriano;  Sun QH(孙泉华);  Bartolomei, Massimiliano;  Pirani, Fernando
收藏  |  浏览/下载：1/0  |  提交时间：2024/01/22
Method of Selecting Active Parameters Using Sensitivity Analysis and Linear Programming 期刊论文
COMBUSTION SCIENCE AND TECHNOLOGY, 2023, 页码: 17
作者:  Li, Yujun;  Zhang, Taichang;  Fang, Yunming;  Fan, Xuejun
收藏  |  浏览/下载：7/0  |  提交时间：2023/11/28
A highly accurate bound-preserving phase field method for incompressible two-phase flows 期刊论文
PHYSICS OF FLUIDS, 9, 2022, 卷号: 34, 页码: 92103
作者:  Xiao, Yao;  Zeng, Zhong;  Zhang, Liangqi;  Wang JZ(王静竹);  Wang YW(王一伟)
收藏  |  浏览/下载：13/0  |  提交时间：2022/10/23
Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14
作者:  Lu, Ning;  Wang, Kai;  Jiang, Jiaxin;  Guo, Hongyan;  Zuo, Gui Zhong
收藏  |  浏览/下载：13/0  |  提交时间：2022/12/23
Accurate and Efficient Estimation of Lennard-Jones Interactions for Coarse-Grained Particles via a Potential Matching Method 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 卷号: 18, 期号: 8, 页码: 4879-4890
作者:  Zhang, Yuwei;  Wang, Yunchu;  Xia, Fei;  Cao, Zexing;  Xu, Xin
收藏  |  浏览/下载：38/0  |  提交时间：2023/02/07
A three-dimensional ordered honeycomb nanostructure anchored with Pt-N active sites via self-assembly of a block copolymer: an efficient electrocatalyst towards the oxygen reduction reaction in fuel cells 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2022, 卷号: 10, 期号: 22, 页码: 12141-12149
作者:  Wang, Zhida;  Yang, Yi;  Wang, Xiaoman;  Lu, Zhuoxin;  Guo, Changqing
收藏  |  浏览/下载：27/0  |  提交时间：2022/07/14
GM-Pep: A High Efficiency Strategy to De Novo Design Functional Peptide Sequences 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 卷号: 62, 期号: 10, 页码: 2617-2629
作者:  Chen, Qushuo;  Yang, Changyan;  Xie, Yihao;  Wang, Yuqiang;  Li, Xiaoxu
收藏  |  浏览/下载：32/0  |  提交时间：2022/06/21
A critical evaluation of the catalytic role of CO2 in propane dehydrogenation catalyzed by chromium oxide from a DFT-based microkinetic simulation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 18, 页码: 11030-11038
作者:  Zhi, ShuaiKe;  Lian, Zan;  Si, ChaoWei;  Jan, Faheem;  Yang, Min
收藏  |  浏览/下载：21/0  |  提交时间：2022/07/01
Single-Molecule Resettable DNA Computing via Magnetic Tweezers 期刊论文
NANO LETTERS, 2022, 卷号: 22
作者:  Pei, Yufeng;  Bian, Tianyuan;  Liu, Yonglin;  Liu, Yan;  Xie, Yujie
收藏  |  浏览/下载：8/0  |  提交时间：2022/12/23
Toward the Rational Design of Mid-Infrared Nonlinear Optical Materials with Targeted Properties via a Multi-Level Data-Driven Approach 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022, 卷号: 32, 期号: 23, 页码: 1-9
作者:  Cai, WB (Cai, Wenbing) [1];  Abudurusuli, A (Abudurusuli, Ailijiang) [1] , [2];  Xie, CW (Xie, Congwei) [1];  Tikhonov, E (Tikhonov, Evgenii) [1];  Li, JJ (Li, Junjie) [1] , [2]
收藏  |  浏览/下载：29/0  |  提交时间：2022/06/21

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