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

Porphyrin-Based Bio-Sourced Materials for Water Depollution Under Light Exposure

光照下卟啉基生物基材料在水体净化中的应用

Schnetz, Fanny; Presset, Marc; Malval, Jean-Pierre; Leprince-Wang, Yamin; Navizet, Isabelle; Versace, Davy-Louis

Chemiluminescent 2-Coumaranones: Synthesis, Luminescence Mechanism, and Emerging Applications

化学发光2-香豆酮:合成、发光机理及新兴应用

Schramm, Stefan; Lippold, Tim; Navizet, Isabelle

Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air-Water Interface

利用多组态量子化学方法测定气相吸收截面 (σ) 和水溶液及空气-水界面摩尔消光系数 (ε)

Borrego-Sánchez, Ana; Zemmouche, Madjid; Carmona-García, Javier; Francés-Monerris, Antonio; Mulet, Pep; Navizet, Isabelle; Roca-Sanjuán, Daniel

Frontiers in Multiscale Modeling of Photoreceptor Proteins

光感受器蛋白多尺度建模前沿

Mroginski, Maria-Andrea; Adam, Suliman; Amoyal, Gil S; Barnoy, Avishai; Bondar, Ana-Nicoleta; Borin, Veniamin A; Church, Jonathan R; Domratcheva, Tatiana; Ensing, Bernd; Fanelli, Francesca; Ferré, Nicolas; Filiba, Ofer; Pedraza-González, Laura; González, Ronald; González-Espinoza, Cristina E; Kar, Rajiv K; Kemmler, Lukas; Kim, Seung Soo; Kongsted, Jacob; Krylov, Anna I; Lahav, Yigal; Lazaratos, Michalis; NasserEddin, Qays; Navizet, Isabelle; Nemukhin, Alexander; Olivucci, Massimo; Olsen, Jógvan Magnus Haugaard; Pérez de Alba Ortíz, Alberto; Pieri, Elisa; Rao, Aditya G; Rhee, Young Min; Ricardi, Niccolò; Sen, Saumik; Solov'yov, Ilia A; De Vico, Luca; Wesolowski, Tomasz A; Wiebeler, Christian; Yang, Xuchun; Schapiro, Igor

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review.

使用 in-deMon2k QM/MM 进行分子模拟:教程与回顾

de la Lande Aurélien, Alvarez-Ibarra Aurelio, Hasnaoui Karim, Cailliez Fabien, Wu Xiaojing, Mineva Tzonka, Cuny Jérôme, Calaminici Patrizia, López-Sosa Luis, Geudtner Gerald, Navizet Isabelle, Garcia Iriepa Cristina, Salahub Dennis R, Köster Andreas M

Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems

利用QM/MM计算模拟化学反应:以萤火虫生物发光系统中的互变异构化为例

Berraud-Pache, Romain; Garcia-Iriepa, Cristina; Navizet, Isabelle

Probing protein mechanics: residue-level properties and their use in defining domains

探究蛋白质力学:残基水平特性及其在定义结构域中的应用

Navizet, Isabelle; Cailliez, Fabien; Lavery, Richard