未登录Engineering synthesis of novel copper(I)-crytal for metabolic pathways in cancer cells: DFT, electronic, and mechanistic stability工程化合成用于癌细胞代谢通路的新型铜(I)配合物：DFT、电子及机制稳定性
Mohamed, Hayder; Dhifetb, Mondher; Benzerrougd, Nabil; Aidel, Mohamed Ridha; Ghallaf, Houcine; Roisnelg, Thierry; Gassoumih, Bouzid; Viscusij, Gianluca; Ben Salem, Ridha .png)
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收藏分享 收藏 Structural topographies and multifunctional activities of an Ag(I)-bis(pyridyl)propane coordination polymer comprising trapped dicarboxylate anions: DFT, photocatalysis, protein binding, and anticancer activityAg(I)-双(吡啶基)丙烷配位聚合物的结构拓扑与多功能活性：包括被困羧酸根阴离子（DFT、光催化、蛋白质结合和抗癌活性）Barman, Shovan; Nandi, Laxmikanta; Das, Arindam; Basu, Anirban; Karan, Gouri; Maiti Choudhury, Sujata; Brandao, Paula; Zangrando, Ennio; Gassoumi, Bouzid; Ghalla, Houcine; Majumdar, Dhrubajyoti; Dalai, Sudipta 分享 收藏 分享 收藏 分享 收藏 Comprehensive Study of the Chloro Porphyrin Fe(III) Complex: Synthesis, Spectroscopic Analysis, Structural Characterization, Electronic Properties, and DFT Calculations氯卟啉铁(III)配合物的综合研究：合成、光谱分析、结构表征、电子性质及DFT计算Dhifet, Mondher; Miraoui, Soumaya; Benzerroug, Nabil; Almutairi, Tahani M.; Tumanov, Nikolay; Ghalla, Houcine; Gassoumi, Bouzid 分享 收藏 分享 收藏 分享 收藏 分享 收藏 分享 收藏 A 3D supramolecular network built by tetranuclear Ag(I) clusters: Insights from DFT applications and study of cytotoxicity, oxidative stress in HLCs, MCF-7 cellsBarman, Shovan; Mahata, Rumi; Choudhury, Sujata Maiti; Brandao, Paula; Zangrando, Ennio; Gassoumi, Bouzid; Ghalla, Houcine; Dalai, Sudipta 分享 收藏 Advanced dielectric and electrochemical sensing properties of novel Zn(II) Metalloporphyrins: Insights into photodegradation and chemical stability in sensor applications新型Zn(II)金属卟啉的先进介电和电化学传感性能：对传感器应用中光降解和化学稳定性的见解Bouicha, Mohamed Achraf; Aissa, Mohamed; Mabrouk, Chama; Ben Mohamed, Fatma Ezzahra; Gassoumi, Bouzid; Ghalla, Houcine; Barhoumi, Houcine; Roisnel, Thierry; Rhouma, Mounir Ben El Hadj; Nasri, Habib 分享 收藏 New interpretations of perfluorobutanoic and perfluorooctanoic acids adsorption on chitosan polyurethane foam via experiments, physical modelling and DFT simulationGhorbali, Rihab; Sellaoui, Lotfi; Ghalla, Houcine; Bonilla-Petriciolet, Adrian; Dotto, Guilherme Luiz; Silva, Luis Felipe Oliveira; Oliveira, Marcos Leandro Silva; Ernst, Barbara; Ben Lamine, Abdelmottaleb 分享 收藏 Comprehensive spectroscopic, electrochemical, X-ray crystal structure and QTAIM/ NCI-RDG analyses computations of a new Bis()1-Formato) chromium(III) Meso-arylporphyrin complex-theoretical insights into sensing efficiency for CO2, NO2 and O2 gases综合光谱、电化学、X射线晶体结构以及QTAIM/NCI-RDG分析计算研究一种新型Bis(1-Formato)铬(III)中位芳基卟啉配合物——关于其对CO2、NO2和O2气体传感效率的理论见解Taissir, Fradi; Kechiche, Azhar; Gassoumi, Bouzid; Nasri, Soumaya; Ghalla, Houcine; Loiseau, Frederique; Molton, Florian; Issaoui, Noureddine; Turowska-Tyrk, Ilona; Nasri, Habib 分享 收藏 8-Aminoquinoline-Based Promising Zn Complexes with Dicyanamide and Tricyanomethane Anions: Supramolecular R 4 4(8)/R 2 2(16) Synthons, DFT Rationalization, and Biological InsightsHazra, Suman; Majumdar, Dhrubajyoti; Philip, Jessica Elizabeth; Gassoumi, Bouzid; Frontera, Antonio; Roy, Sourav; Ghalla, Houcine; Dalai, Sudipta 分享 收藏 Synthesis, characterization, X-ray structure, and DFT calculations of Zn complex encompassing HL N2O ligand: Relevance in cytotoxicity and antifungal photodynamic therapy.Hazra, Suman; Majumdar, Dhrubajyoti; Philip, Jessica Elizabeth; Gassoumi, Bouzid; Roy, Sourav; Ghalla, Houcine; Dalai, Sudipta 分享 收藏 Undulated 1D Polymeric Chains of Ag(I) Turning into a 3D Network by Carboxylate Ions and Water Molecules: Hirshfeld Surface Analysis, Insights from DFT Applications and Study of Cytotoxicity, Oxidative Stress in HLCs and MCF-7 CellsBarman, Shovan; Mahata, Rumi; Choudhury, Sujata Maiti; Brandao, Paula; Zangrando, Ennio; Gassoumi, Bouzid; Ghalla, Houcine; Dalai, Sudipta 分享 收藏 Spectroscopic, structural characterization, along with DFT calculation, of a new cadmium(II) acetato meso-arylporphyrin: Theoretical study on NO2, CO2, N2, NO2, and SO2 gas-sensing and analysis of electrical conductance and dielectric propertiesDardouri, N. E.; Ben Amor, F.; Bouzid, G.; Mkacher, H.; Hamdaoui, N.; Nasri, S.; Ghalla, H.; Roisnel, Thierry; Turowska-Tyrk, Ilona; Nasri, H. 分享 收藏 Exploring Nano-optical Molecular Switch Systems for Potential Electronic Devices: Understanding Electric and Electronic Properties through DFT-QTAIM AssemblyHadi, Hamid; Dlala, Najet Aouled; Cherif, Imen; Gassoumi, Bouzid; Abdelaziz, Balkis; Safari, Reza; Caccamo, Maria Teresa; Magazu, Salvatore; Patane, Salvatore; Ghalla, Houcine; Ayachi, Sahbi 分享 收藏 分享 收藏 
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