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mol. syst. des. eng.

IF
Papers34
Citations
Journal Papers 45
Publication Date
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Fast process-level screening of metal-organic frameworks for adsorption separation using 3D classical density functional theory
deletemol. syst. des. eng.
IF0
delete2026-06-27
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-06-26
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-06-26
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-06-26
delete0
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 Blends
deletemol. syst. des. eng.
IF0
delete2026-06-19
delete0
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 Acid
deletemol. syst. des. eng.
IF0
delete2026-06-16
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-06-16
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-06-11
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-06-09
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-06-03
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-06-02
delete0
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
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
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
deletemol. syst. des. eng.
IF0
delete2026-05-21
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-05-19
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-05-12
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-05-09
delete0
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
deletemol. syst. des. eng.
IF0
delete2026-05-08
delete0
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%
deletemol. syst. des. eng.
IF0
delete2026-04-30
delete0
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
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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