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

Pursuing the holy grail of thermally activated delayed fluorescence emitters: a molecular strategy for reducing the energy gap and enhancing spin-orbit coupling

追求热激活延迟荧光发射体的终极目标:一种降低能隙和增强自旋轨道耦合的分子策略

Ievtukhov, Vladyslav; Prlj, Antonio; Ciupak, Olga; Mońka, Michał; Serdiuk, Illia E

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics

非绝热动力学分子基准测试路线图

Cigrang, Léon L E; Curchod, Basile F E; Ingle, Rebecca A; Kelly, Aaron; Mannouch, Jonathan R; Accomasso, Davide; Alijah, Alexander; Barbatti, Mario; Chebbi, Wiem; Došlić, Nadja; Eklund, Elliot C; Fernandez-Alberti, Sebastian; Freibert, Antonia; González, Leticia; Granucci, Giovanni; Hernández, Federico J; Hernández-Rodríguez, Javier; Jain, Amber; Janoš, Jiří; Kassal, Ivan; Kirrander, Adam; Lan, Zhenggang; Larsson, Henrik R; Lauvergnat, David; Le Dé, Brieuc; Lee, Yeha; Maitra, Neepa T; Min, Seung Kyu; Peláez, Daniel; Picconi, David; Qiu, Zixing; Raucci, Umberto; Robertson, Patrick; Sangiogo Gil, Eduarda; Sapunar, Marin; Schürger, Peter; Sinnott, Patrick; Tretiak, Sergei; Tikku, Arkin; Vindel-Zandbergen, Patricia; Worth, Graham A; Agostini, Federica; Gómez, Sandra; Ibele, Lea M; Prlj, Antonio

Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds

计算大气挥发性有机化合物的光吸收截面

Prlj, Antonio; Marsili, Emanuele; Hutton, Lewis; Hollas, Daniel; Shchepanovska, Darya; Glowacki, David R; Slavíček, Petr; Curchod, Basile F E

Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules

使用ADC(2)研究含羰基分子的光化学性质时需注意以下事项:

Marsili, Emanuele; Prlj, Antonio; Curchod, Basile F E

Low-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State Methods

杂芳族分子的低能ππ*态:激发态方法的挑战

Prlj, Antonio; Sandoval-Salinas, María Eugenia; Casanova, David; Jacquemin, Denis; Corminboeuf, Clémence

Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds

噻吩类化合物TDDFT谱中定性错误特征

Prlj, Antonio; Curchod, Basile F E; Fabrizio, Alberto; Floryan, Leonard; Corminboeuf, Clémence

Adjusting the Local Arrangement of π-Stacked Oligothiophenes through Hydrogen Bonds: A Viable Route to Promote Charge Transfer

通过氢键调节π堆积寡聚噻吩的局部排列:促进电荷转移的可行途径

Liu, Hongguang; Brémond, Éric; Prlj, Antonio; Gonthier, Jérôme F; Corminboeuf, Clémence