Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D4CP00995A, PaperXiaoyue Xu, Holger Grohganz, Thomas Rades This study showed that the combination of weak hydrogen bonding and strong electrostatic contributions in hydrated PRL and LID could play an important role in inducing the anti-plasticizing effect of water on those drugs. To cite this...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00594E, PaperJinhui Xing, Chao Wu, Shiqi Li, Yuanping Chen, Lizhi Zhang, Yuee Xie, Jiaren Yuan, Lichuan Zhang Spin current generation from charge current in nonmagnetic material, promise an energy-efficient scheme for manipulating magnetization in spintronic devices. In some asymmetric...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00886C, CommunicationAtreyee Majumdar, Raghunathan Ramakrishnan We embark on a quest to identify small molecules in the chemical space that can potentially violate Hund's rule. Utilizing twelve TDDFT approximations and the ADC(2) many-body method, we report... The content of this RSS...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP01226G, PaperYaDong Du, Xiangju Ye, Zhenzhen Hui, Die Jiao, Yue xie, Shifu Chen, Jun Ding Photocatalysis is an alternative technology that utilizes solar energy as a driving force to address environmental governance,which has attracted widespread attention from chemists worldwide. A...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00993B, PaperSuman Dhami, Mst Nasima Khatun, Chaitrali Sengupta, Parameswar K. Iyer, Ravindra Pandey Perylene Monoimide (PMI) derivatives are increasing significant attention due to their strong absorption in the visible range, thermal stability, and synthetic accessibility. These properties...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00969J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jos Suijker, Behnaz Bagheri We performed high-level quantum mechanical calculations to explore the interaction of atomic oxygen in the ground triplet state, O(3P), and the...