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M

mol. syst. des. eng.

IF
论文数45
被引数
期刊论文 45
发表时间
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Fast process-level screening of metal-organic frameworks for adsorption separation using 3D classical density functional theory利用三维经典密度泛函理论研究金属有机框架材料的吸附分离快速过程级筛选
deletemol. syst. des. eng.
IF0
delete2026-06-27
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deleteOAAI
deleteMarcel Granderath; Philipp Rehner; Joachim Groß; Vincent Dufour-Décieux; André Bardow
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Side-chain branching position regulation of quinoxaline-based small-molecule acceptors for efficient organic solar cells喹喔啉基小分子受体的侧链支化位点调控以实现高效有机太阳能电池
deletemol. syst. des. eng.
IF0
delete2026-06-26
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PREAI
deleteXuncheng Zhu; Jiamin Fang; Hang Yang; Hongyu Fan; Yu Ge; Yue Wu; Chaohua Cui
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Ionic shielding of electrostatic interactions of fibrinogen during aggregate formation: a molecular dynamics study在聚集形成过程中纤维蛋白原静电相互作用的离子屏蔽：分子动力学研究
deletemol. syst. des. eng.
IF0
delete2026-06-26
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deleteOAAI
deleteAparna Sai Malisetty; Antoine Eyram Kwame; Lucio Colombi Ciacchi; Dorothea Brüggemann; Susan Köppen-Hannemann
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Visible Light-Induced Degradation of Diclofenac using Bi2Fe4O9/BiOBr Heterojunction Photocatalyst可见光诱导下使用Bi2Fe4O9/BiOBr异质结光催化剂降解双氯芬酸
deletemol. syst. des. eng.
IF0
delete2026-06-26
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PREAI
deleteKomal Shukla; Raju Kumar Gupta
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PhaseTime: A Flory-Huggins-Based Computational Framework for Predicting Time-Dependent Phase Diagrams of Reactive Polymer BlendsPhaseTime：基于Flory-Huggins的计算框架，用于预测反应性聚合物共混物的时变相图
deletemol. syst. des. eng.
IF0
delete2026-06-19
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deleteOAAI
deleteAristotelis P Sgouros; Konstantinos S Gkoutis; Eléonore Mathis; Anthony Bocahut; Doros Theodorou
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Effect of Ga2O3 Crystal Phase on Photocatalytic Degradation of Perfluorooctanoic AcidGa2O3晶相效应对全氟辛酸光催化降解的影响
deletemol. syst. des. eng.
IF0
delete2026-06-16
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PREAI
deleteShinya Mizoguchi; Yukie Takashiro; Tenta Yamaryo; Hideka Inada; Tomoko Yoshida; Noritsugu Kometani
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Alkyl Chain Length as a Molecular Switch: From Supramolecular Reprogramming to Biointerface Modulation in α-Aminophosphonate Assemblies烷基链长度作为分子开关：从超分子重编程到α-氨基膦酸酯组装体的生物界面调控
deletemol. syst. des. eng.
IF0
delete2026-06-16
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PREAI
deleteRawda Kholany; Alaa A. Mardini; Ksenia Shakirova; Daut Islamov; Alexander Gerasimov; Alexander Klimovitskii; Alena A. Vavilova; Olga Mostovaya; Asiya Gazizova; Alexandra Dmitrievna Voloshina; Anna P. Lyubina; Konstantin A. Petrov; Ivan Stoikov
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Reconstruction of realistic kerogen molecular models in shale oil and gas reservoirs: the physicochemical inversion method页岩油气储层中 realistic kerogen 分子模型的重建：物理化学反演方法
deletemol. syst. des. eng.
IF0
delete2026-06-11
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PREAI
deleteMingzhu Xu †; Xiaohe Wang †; Xianfu Huang; Quanzi Yuan; Ya-Pu Zhao
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Synergistic engineering of energetic materials: from molecular design to advanced manufacturing高能材料的协同工程：从分子设计到先进制造
deletemol. syst. des. eng.
IF0
delete2026-06-09
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PREAI
deleteHaoran Liu; Chunlin Zhao; Ning Wang; Qingyan Pan
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Azulene-porphyrin based covalent organic frameworks for applications in second order nonlinear optics基于 azulene-卟啉的共价有机框架在二阶非线性光学中的应用
deletemol. syst. des. eng.
IF0
delete2026-06-03
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PREAI
deleteJiaojiao Deng; YouZhao Lan; Cui-Cui Yang; Wei Quan Tian
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Two-dimensional interaction parameter histograms as a simple and versatile nanoporous material representation for machine learning prediction of adsorption properties二维相互作用参数直方图作为机器学习预测吸附性能的简单且通用的纳米多孔材料表征
deletemol. syst. des. eng.
IF0
delete2026-06-02
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deleteOAAI
deleteTatiane Gercina de Vilas; Jair Fernando Fajardo-Rojas; Omar Mansurov; Ruby Devaisher; Eric Toberer; Diego Gomez-Gualdron
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Effect of the hydrogen bond donor nature on the extraction ability of a tributyl phosphate-based deep eutectic solvent三正丁基磷酸酯基深共熔溶剂的氢键供体性质对其萃取能力的影响
deletemol. syst. des. eng.
IF0
delete2026-05-28
delete0
PREAI
deleteN. A. Milevskii; A. V. Milevskaya; V. E. Maltseva; I. V. Ananyev; D. D. Borisov; A. E. Eremchenko; Yu. A. Zakhodyaeva; A. A. Voshkin
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Zinc-phenolic coordination-driven gelatin hydrogel networks with enhanced biological properties for tissue regeneration锌-酚类配位驱动的明胶水凝胶网络，具有增强的生物特性，用于组织再生
deletemol. syst. des. eng.
IF0
delete2026-05-28
delete0
PREAI
deleteNgoc Anh Phung Thi; Nhat Hung Pham Ba; Long Binh Vong; Dong Yen Pham Nguyen; Thanh Thuy Nguyen Thi; Tien-Dung Nguyen-Dinh; Huynh Nhu Mai; Ngoc Trinh Huynh; Dieu Linh Tran; Dai Hai Nguyen
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Naphthalene Diimide-Based Molecular Salts: Tuning Molecular Arrangements for Efficient Electron Transport萘二亚胺基分子盐：调控分子排列以实现高效电子传输
deletemol. syst. des. eng.
IF0
delete2026-05-21
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PREAI
deleteRyota Akai; Shun Dekura; Tomoyuki Akutagawa; Eunsang Kwon; Haruka Yoshino; Hitoshi Miyasaka; Yunho Ahn; JaeHong Park; Hitoshi Kasai; Kouki Oka
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Surface molecular engineering of membranes for oil-in-water emulsion separation: Where we are and where to go油包水乳液分离的膜表面分子工程：我们目前的位置和未来的方向
deletemol. syst. des. eng.
IF0
delete2026-05-19
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PREAI
deleteQi-Rui Jiang; Xing-Jie Shen; Hao-Cheng Yang; Zhi-Kang Xu
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Hydrothermal in situ bifunctional hydrazine-carboxylate ligands synthesis for creating 3D rare earth metal-organic frameworks水热原位双功能肼-羧酸配体的合成，用于构建三维稀土金属有机框架
deletemol. syst. des. eng.
IF0
delete2026-05-12
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PREAI
deleteChatphorn Theppitak; Pacharapon Jearanaiwiwat; Sakchai Laksee; Mongkol Sukwattanasinitt; Filip Kielar; Shinya Hayami; Kittipong Chainok
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Conformational Behaviour of Photoresponsive Single-Chain Polymeric Nanoparticles光响应单链聚合物纳米粒子的构象行为
deletemol. syst. des. eng.
IF0
delete2026-05-09
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deleteOAAI
deleteTessa Loman; Yagmur Altunsoy; Andra-Maria Olaru; Harshit Singh; Jolanda Spiering; Anja Palmans
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Towards best practices in low-dimensional semi-supervised latent Bayesian optimization for the design of antimicrobial peptides面向抗菌肽设计中的低维半监督隐式贝叶斯优化最佳实践
deletemol. syst. des. eng.
IF0
delete2026-05-08
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deleteOAAI
deleteJyler Menard; Rachael Mansbach
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A Novel Pyrrolo[3; 4-b]dithieno[2; 3-f:3'; 2'-h]quinoxaline-8; 10 (9H)-dione –Based medium bandgap π- conjugated polymer donor for high –performance Ternary non-fullerene Polymer Solar Cells with an Efficiency of Over 17%一种基于新型吡咯[3;4-b]二噻吩[2;3-f:3';2'-h]喹喔啉-8;10(9H)-二酮的中带隙π-共轭聚合物给体，用于效率超过17%的高性能三元非富勒烯聚合物太阳能电池
deletemol. syst. des. eng.
IF0
delete2026-04-30
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PREAI
deleteGanesh D Sharma; M L Keshtov; Dmitriy P. Kalinkin; Dimitri Y. Shikin; Svetlana Peregudova; Z. Y. Xie
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Ensuring Structural Fidelity of Generated Polymers with PoGE利用PoGE确保生成聚合物的结构保真度
deletemol. syst. des. eng.
IF0
delete2026-04-29
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PREAI
deleteIvan Bespalov; Ivan Zlobin; Mark Yu. Schneider; Gleb Averochkin; Eugeny Alexandrov
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