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浏览/检索结果: 共147条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Effects of Chemical Short-Range Order and Lattice Distortion on Crack-Tip Behavior of Medium-Entropy Alloy by Atomistic Simulations 期刊论文  OAI收割 METALS, 2024, 卷号: 14, 期号: 2, 页码: 14 作者:  Zhu, Xiuju;  Cao, Fuhua;  Dai, Lanhong;  Chen, Yan;  Dai LH(戴兰宏)   |  收藏  |  浏览/下载：29/0  |  提交时间：2024/04/02 chemical short-range order  lattice distortion  J-integral  localized deformation zone  crack  molecular dynamics   Bioassay-guided isolation of α-Glucosidase inhibitory constituents from Hypericum sampsonii 期刊论文  OAI收割 CHINESE JOURNAL OF NATURAL MEDICINES, 2023, 卷号: 21, 期号: 6, 页码: 443-453 作者:  Tao,Linlan;  Xu,Shuangyu;  Zhang,Zizhen;  Li,Yanan;  Yang,Jue   |  收藏  |  浏览/下载：18/0  |  提交时间：2024/07/22 Hypericum sampsonii  Chemical constituents  Structure elucidation  alpha-Glucosidase  Molecular docking  POLYCYCLIC POLYPRENYLATED ACYLPHLOROGLUCINOLS  POTENT INHIBITORS  SPECTROSCOPY  DERIVATIVES  CHEMISTRY  AMYLASE  ROOTS   Inverse Electron-Demanding Diels-Alder Reactions in the Chemical Synthesis of Prenylated Indole Alkaloids Containing a Bicycle[2.2.2]diazaoctane Moiety: A Theoretical Study 期刊论文  OAI收割 CHEMISTRY-AN ASIAN JOURNAL, 2023, 卷号: 18, 期号: 7 作者:  Xu,Wenqiang;  Sun,Tian-Yu;  Di,Yingtong;  Hao,Xiaojiang;  Wu,Yun-Dong   |  收藏  |  浏览/下载：12/0  |  提交时间：2024/07/10 alkaloids  chemical synthesis  inverse-electron demanding Diels-Alder reaction  reaction mechanisms  theoretical study  BIOMIMETIC TOTAL-SYNTHESIS  CORRELATED MOLECULAR CALCULATIONS  MARINE-DERIVED FUNGUS  GAUSSIAN-BASIS SETS  (-)-VERSICOLAMIDE B  ORBITAL METHODS  BREVIANAMIDE-A  STEPHACIDIN-A  MODEL  CONCISE   Chemical structure effects on coal pyrolyzates and reactions by using large-scale reactive molecular dynamics 期刊论文  OAI收割 Fuel, 2022, 卷号: 327 作者:  Zheng, Mo;  Li, Xiaoxia   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/26 Cracking (chemical) - Indicators (chemical) - Mapping - Molecular dynamics - Reaction kinetics - Structure (composition) - Temperature - Thermogravimetric analysis   Nontarget Screening Exhibits a Seasonal Cycle of PM2.5 Organic Aerosol Composition in Beijing 期刊论文  OAI收割 ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2022, 卷号: 56, 期号: 11, 页码: 7017-7028 作者:  Ma, Jialiang;  Ungeheuer, Florian;  Zheng, Feixue;  Du, Wei;  Wang, Yonghong   |  收藏  |  浏览/下载：26/0  |  提交时间：2022/11/07 PARTICULATE NITRATED PHENOLS  CIS-PINIC ACID  MOLECULAR CHARACTERIZATION  LIGHT-ABSORPTION  BROWN CARBON  GAS-PHASE  CHEMICAL-CHARACTERIZATION  AROMATIC-HYDROCARBONS  OXIDATION-PRODUCTS  RESIDENTIAL COAL   Recent advances in molecular simulation of oil shale kerogen 期刊论文  OAI收割 FUEL, 2022, 卷号: 316, 页码: 15 作者:  Zhang, Hanyu;  Ahmed, Menatalla;  Zhan, Jin-Hui   |  收藏  |  浏览/下载：30/0  |  提交时间：2022/06/15 Kerogen  Molecular simulation  Molecular structure  Physical/chemical processes   A New Structural Classification Scheme for Dissolved Organic Sulfur in Urban Snow from North China 期刊论文  OAI收割 ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS, 2022, 卷号: 9, 期号: 5, 页码: 366-374 作者:  Su, Sihui;  Xie, Qiaorong;  Smith, Alan J.;  Lang, Yunchao;  Hu, Wei   |  收藏  |  浏览/下载：15/0  |  提交时间：2022/11/08 MOLECULAR FORMULA ASSIGNMENT  UNSATURATED FATTY-ACIDS  ORGANOSULFUR COMPOUNDS  ATMOSPHERIC AEROSOLS  MASS-SPECTROMETRY  PARTICULATE ORGANOSULFATES  HETEROGENEOUS REACTION  AROMATIC-HYDROCARBONS  CHEMICAL-COMPOSITION  ANIONIC SURFACTANTS   Ionic liquid regulated interfacial polymerization process to improve acid-resistant nanofiltration membrane permeance 期刊论文  OAI收割 Journal of Membrane Science, 2022, 卷号: 641 作者:  Bai, Ju;  Lai, Wei;  Gong, Lili;  Xiao, Luqi;  Wang, Guosheng   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/26 Molecular dynamics - Morphology - Nanofiltration - Polymerization - Nanofiltration membranes - Chlorine compounds - Acid resistance - Chemical analysis - Surface morphology - Pore size   Coupled Strengthening Effects by Lattice Distortion, Local Chemical Ordering, and Nanoprecipitates in Medium-Entropy Alloys 期刊论文  OAI收割 FRONTIERS IN MATERIALS, 2021, 卷号: 8, 页码: 12 作者:  Cheng, Wenqiang;  Yuan, Fuping;  Wu, Xiaolei;  Yuan FP(袁福平);  Wu XL(武晓雷)   |  收藏  |  浏览/下载：79/0  |  提交时间：2022/01/13 high-entropy alloys  lattice distortion  local chemical ordering  precipitation  strengthening mechanisms  molecular dynamics simulations   SepPCNET: Deeping Learning on a 3D Surface Electrostatic Potential Point Cloud for Enhanced Toxicity Classification and Its Application to Suspected Environmental Estrogens 期刊论文  OAI收割 ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021, 卷号: 55, 期号: 14, 页码: 9958-9967 作者:  Wang, Liguo;  Zhao, Lu;  Liu, Xian;  Fu, Jianjie;  Zhang, Aiqian   |  收藏  |  浏览/下载：18/0  |  提交时间：2021/12/22 deep learning  3D molecular surface electrostatic potential point cloud  chemical toxicity classification  model visualization  data imbalance  estrogen receptor agonist activity