日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Mechanistic Insights into Lewis Acid-Catalyzed Formal [3 + 2] Cycloadditions of Aziridines: A Molecular Electron Density Theory Study

路易斯酸催化氮丙啶[3+2]环加成反应的机理研究:分子电子密度理论分析

Domingo, Luis R; Pérez, Patricia; Aurell, Maria José

Experimental and MEDT Study of Sydnone–Alkyne Cycloaddition-Based Synthesis of 1,4-Disubstituted Pyrazoles and In Silico Investigation of Their Binding to HCV and HIV Proteins

基于炔酮-炔环加成反应合成1,4-二取代吡唑的实验和MEDT研究及其与HCV和HIV蛋白结合的计算机模拟研究

Lee, Jin; Park, Jongha; Park, Jino; Park, Yong Eun; Choi, Joon Hyuk; Heo, Nae-Yun; Park, Seung Ha; Kim, Tae Oh; Zerbib, Souad; Eddahmi, Mohammed; Alaqarbeh, Marwa; Bodet, Pierre-Edouard; Thiery, Valérie; Fatimi, Ahmed; Cruz-Martins, Natália; Bailly, Christian; Domingo, Luis R; Bouissane, Latifa

Intramolecular Versus Intermolecular Diels-Alder Reactions: Insights from Molecular Electron Density Theory

分子内与分子间狄尔斯-阿尔德反应:来自分子电子密度理论的启示

Domingo, Luis R; Pérez, Patricia

Unveiling the Role of the Lewis Acids in the Acceleration of Alder-Ene Reactions: A Molecular Electron Density Theory Study

揭示路易斯酸在加速Alder-Ene反应中的作用:分子电子密度理论研究

Domingo, Luis R; Pérez, Patricia

Advanced Molecular Electron Density Theory Study of the Substituent Effects in Nucleophilic Substitution Reactions

利用高级分子电子密度理论研究亲核取代反应中取代基效应

Domingo, Luis R; Pérez, Patricia; Ríos-Gutiérrez, Mar; Aurell, María José

Unveiling Hydrogen Bonding and Solvent Effects on Directed Nitrile Oxide [3 + 2] Cycloaddition Reactions: Selectivity of 2,2-Dimethylpropane Nitrile Oxide with Cyclopentenylbenzamide: An MEDT Study

揭示氢键和溶剂效应对导向腈氧化物[3+2]环加成反应的影响:2,2-二甲基丙烷腈氧化物与环戊烯基苯甲酰胺的选择性:MEDT研究

Benmetir, Sofiane; Benhamed, Lakhdar; Tchouar, Noureddine; Mohammad-Salim, Haydar; de Julián-Ortiz, Jesús Vicente; Ríos-Gutiérrez, Mar; Domingo, Luis R

Thermal [2+2] Cycloaddition Reactions of Perfluorobicyclo[2.2.0]hex-1(4)-ene with Ethylene, Benzene and Styrene: A MEDT Perspective

全氟双环[2.2.0]己-1(4)-烯与乙烯、苯和苯乙烯的热[2+2]环加成反应:MEDT视角

Kącka-Zych, Agnieszka; Domingo, Luis R

Synthesis, Molecular Electron Density Theory Study, Molecular Docking, and Pharmacological Evaluation of New Coumarin-Sulfonamide-Nitroindazolyl-Triazole Hybrids as Monoamine Oxidase Inhibitors.

新型香豆素-磺酰胺-硝基吲唑基-三唑杂合物作为单胺氧化酶抑制剂的合成、分子电子密度理论研究、分子对接和药理学评价

Eddahmi Mohammed, La Spada Gabriella, Domingo Luis R, Vergoten Gérard, Bailly Christian, Catto Marco, Bouissane Latifa

An MEDT Study of the Reaction Mechanism and Selectivity of the Hetero-Diels-Alder Reaction Between 3-Methylene-2,4-Chromandione and Methyl Vinyl Ether

利用MEDT方法研究3-亚甲基-2,4-色满二酮与甲基乙烯基醚杂Diels-Alder反应的反应机理和选择性

Bouhaoui, Abderrazzak; Moumad, Aziz; Domingo, Luis R; Bouissane, Latifa

Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory

分子电子密度理论揭示全局电子密度转移在极性有机反应速率中的关键作用

Domingo, Luis R; Ríos-Gutiérrez, Mar