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浏览/检索结果: 共2618条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Entanglement Generation of Polar Molecules via Deep Reinforcement Learning 期刊论文  OAI收割 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024 作者:  Zhang, Zuo-Yuan;  Sun, Zhaoxi;  Duan, Tao;  Ding, Yi-Kai;  Huang, Xinning   |  收藏  |  浏览/下载：52/0  |  提交时间：2024/03/26 Enzymatic Synthesis of Noncanonical α-Amino Acids Containing γ-Tertiary Alcohols 期刊论文  OAI收割 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2024, 页码: 9 作者:  Zhang, Rui;  Zhang, Chenghua;  Tan, Jiamu;  He, Yifan;  Zhuo, Dan   |  收藏  |  浏览/下载：18/0  |  提交时间：2024/02/27 Asymmetric Synthesis  Biocatalysis  Noncanonical Amino Acids  Quantum Chemical Calculations  Tertiary Alcohols   The emergence of machine learning force fields in drug design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36 作者:  Chen, Mingan;  Jiang, Xinyu;  Zhang, Lehan;  Chen, Xiaoxu;  Wen, Yiming   |  收藏  |  浏览/下载：14/0  |  提交时间：2024/02/19 computational chemistry  drug design  force field  machine learning  molecular modeling   Changes in groundwater dynamics and geochemical evolution induced by drainage reorganization: Evidence from 81Kr and 36Cl dating of geothermal water in the Weihe Basin of China 期刊论文  OAI收割 EARTH AND PLANETARY SCIENCE LETTERS, 2023, 卷号: 623, 页码: 9 作者:  Li, Jie;  Pang, Zhonghe;  Liu, Yulian;  Hu, Shuiming;  Jiang, Wei   |  收藏  |  浏览/下载：6/0  |  提交时间：2023/12/27 Kr-81 dating  Cl-36 dating  Geothermal water  Groundwater dynamics  Weihe basin   Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets 期刊论文  OAI收割 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571 作者:  Hong, Qizhen;  Storchi, Loriano;  Sun, Quanhua;  Bartolomei, Massimiliano;  Pirani, Fernando   |  收藏  |  浏览/下载：4/0  |  提交时间：2024/01/22 DeepStSNet: Reconstructing the quantum state-resolved thermochemical nonequilibrium flowfield using deep neural operator learning with scarce data 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL PHYSICS, 2023, 卷号: 491, 页码: 112344 作者:  Lv JQ(吕家琦);  Hong QZ(洪启臻);  Wang XY(王小永);  Mao, Zhiping;  Sun QH(孙泉华)   |  收藏  |  浏览/下载：16/0  |  提交时间：2023/09/26 Hypersonic  Thermochemical nonequilibrium  State-to-state approach  Deep learning  Multiphysics  Data assimilation   Investigation of triazole derivatives as corrosion inhibitors on Q235 steel in NaCl solution: Experimental and theoretical studies 期刊论文  OAI收割 COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2023, 卷号: 674, 页码: 14 作者:  Lu, Hao;  Ji, Xiaohong;  Ci, Xiaojing;  Zhu, Haoyuan;  Wang, Qingfu   |  收藏  |  浏览/下载：7/0  |  提交时间：2023/12/13 Q235 steel  Corrosion inhibitors  Triazole derivatives  DFT   Activated dissociation of H2 on the Cu(001) surface: The role of quantum tunneling 期刊论文  OAI收割 CHINESE PHYSICS B, 2023, 卷号: 32 作者:  Yu, Xiaofan;  Tong, Yangwu;  Yang, Yong   |  收藏  |  浏览/下载：8/0  |  提交时间：2023/11/10 H-2  Cu(001)  dissociation  quantum tunneling  density functional theory (DFT)  transfer matrix method   DeePMD-kit v2: A software package for deep potential models 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2023, 卷号: 159, 期号: 5, 页码: 24 作者:  Zeng, Jinzhe;  Zhang, Duo;  Lu, Denghui;  Mo, Pinghui;  Li, Zeyu   |  收藏  |  浏览/下载：9/0  |  提交时间：2023/12/04 Plant Traits Variably Respond to Plant-Soil Interactions during Secondary Succession on the Loess Plateau 期刊论文  OAI收割 FORESTS, 2023, 卷号: 14, 期号: 4, 页码: 13 作者:  Ai, Zemin;  Li, Jiayi;  Li, Xinghua;  Zhang, Jiaoyang;  Liu, Hongfei   |  收藏  |  浏览/下载：11/0  |  提交时间：2023/10/09 plant-soil feedback  species replacement  photosynthesis  chlorophyll fluorescence  soil nitrogen