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Spectroscopic characterization, DFT analysis, and molecular docking studies of a novel quinoline-based isonicotinohydrazide derivative 光谱表征、DFT分析和分子对接研究一种新型喹啉基异烟腙衍生物 Usha, R. T.; Prabakaran, A.; Sivakumar, S.; Thajudeen, H.; Ahamed, V. S. Jamal; Bazith, M. I. Abdul; Al-Dossary, Omar M.; Bousiakou, Leda G.; Issaoui, Noureddine 分享 收藏
Crystal structure, spectral characterization, photophysical properties, Hirshfeld surface analysis, and antimicrobial activity of homopiperazinium dichromate(VI) 同哌嗪铵二铬酸(VI)的晶体结构、光谱表征、光物理性质、Hirshfeld表面分析和抗菌活性 Holikulov, Utkirjon; Trabelsi, Sonia; Marouani, Houda; Roisnel, Thierry; Al-Dossary, Omar M.; Jumabaev, Abduvakhid; Issaoui, Noureddine 分享 收藏
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Synthesis, Structural, Spectroscopic, Inhibitory, and biological Activity studies of a novel hybrid m-(CH2NH3)2C6H4 (HPO4)•2H2O: Experimental and quantum chemical Investigations 合成、结构、光谱、抑制和生物活性研究:一种新型杂化物m-(CH2NH3)2C6H4 (HPO4)•2H2O的实验与量子化学研究 Sagaama, Abir; Guesmi, Afef; Issaoui, Noureddine; Al-Dossary, Omar M.; Dorcet, Vincent; Roisnel, Thierry; Marouani, Houda 分享 收藏
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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
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Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations 基于DFT计算的苯乙酮的分子结构,振动光谱分配,MEP,homo-lumo,AIM,NCI,RDG,ELF,LOL性质及其解 Jumabaev, Abduvakhid; Khudaykulov, Bekzod; Holikulov, Utkirjon; Norkulov, Asliddin; Subbiah, Jeyavijayan; Al-Dossary, Omar M.; Hushvaktov, Hakim; Absanov, Ahmad; Issaoui, Noureddine 分享 收藏
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Optical materials enhancing the chemical reactivity characteristics of N-benzyloxycarbonyl-L-phenylalanine: Spectroscopic, electronic properties, natural bond orbital, stability, electron-hole, Topology and molecular docking analyses Sowmiya, K.; Kanimozhi, R.; Uthayakumar, G. S.; Muzammil, P.; Issaoui, Noureddine; Ramesh, P.; Al-Dossary, Omar M.; Rajesh, P. 分享 收藏