Universität zu Köln

Journal Article

Cao, Xiaoyan ORCID: 0000-0002-3438-575X and Dolg, Michael (2022). Ab initio studies on a highly luminescent and oxygen-sensitive Tb(III) complex with a 1,4,7-triazacyclononane-based tris-aryloxide ligand. J. Lumines., 252. AMSTERDAM: ELSEVIER. ISSN 1872-7883

Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Wu, Liangliang, Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837 (2020). Density Functional Studies of Coenzyme NADPH and Its Oxidized Form NADP(+): Structures, UV-Vis Spectra, and the Oxidation Mechanism of NADPH. J. Comput. Chem., 41 (4). S. 305 - 317. HOBOKEN: WILEY. ISSN 1096-987X

Li, Xiaojun, Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Heinz, Norah and Dolg, Michael ORCID: 0000-0002-0538-0837 (2020). Structures, electronic properties, hydration and UV-vis absorption spectra of actinide motexafins [An-Motex](2+) (An = Ac, Cm, Lr) and [UO2-Motex](1+): insights from DFT calculations. Mol. Phys., 118 (21-22). ABINGDON: TAYLOR & FRANCIS LTD. ISSN 1362-3028

Xie, Xiao-Ying, Xiao, Pin, Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Fang, Wei-Hai ORCID: 0000-0002-1668-465X, Cui, Ganglong and Dolg, Michael ORCID: 0000-0002-0538-0837 (2018). The Origin of the Photoluminescence Enhancement of Gold-Doped Silver Nanoclusters: The Importance of Relativistic Effects and Heteronuclear Gold-Silver Bonds. Angew. Chem.-Int. Edit., 57 (31). S. 9965 - 9970. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3773

Wu, Liangliang ORCID: 0000-0002-5434-0786, Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Chen, Xuebo, Fang, Weihai and Dolg, Michael ORCID: 0000-0002-0538-0837 (2018). Visible-Light Photocatalysis of C(sp(3))-H Fluorination by the Uranyl Ion: Mechanistic Insights. Angew. Chem.-Int. Edit., 57 (36). S. 11812 - 11817. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3773

Zhang, Qiangqiang, Wu, Liangliang ORCID: 0000-0002-5434-0786, Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Chen, Xuebo, Fang, Weihai and Dolg, Michael ORCID: 0000-0002-0538-0837 (2017). Energy Resonance Crossing Controls the Photoluminescence of Europium Antenna Probes. Angew. Chem.-Int. Edit., 56 (27). S. 7986 - 7991. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3773

Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Heinz, Norah, Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837 (2017). The first water coordination sphere of lanthanide(III) motexafins (Ln-Motex(2+), Ln = La, Gd, Lu) and its effects on structures, reduction potentials and UV-vis absorption spectra. Theoretical studies. Phys. Chem. Chem. Phys., 19 (30). S. 20160 - 20172. CAMBRIDGE: ROYAL SOC CHEMISTRY. ISSN 1463-9084

Herrmann, Nils ORCID: 0000-0002-6468-9180, Heinz, Norah, Dolg, Michael ORCID: 0000-0002-0538-0837 and Cao, Xiaoyan ORCID: 0000-0002-3438-575X (2016). Quantum chemical study of the autoxidation of ascorbate. J. Comput. Chem., 37 (20). S. 1914 - 1924. HOBOKEN: WILEY. ISSN 1096-987X

Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Zhang, Jun, Weissmann, Daniel, Dolg, Michael ORCID: 0000-0002-0538-0837 and Chen, Xuebo (2015). Accurate quantum chemical modelling of the separation of Eu3+ from Am3+/Cm3+ by liquid-liquid extraction with Cyanex272. Phys. Chem. Chem. Phys., 17 (32). S. 20605 - 20617. CAMBRIDGE: ROYAL SOC CHEMISTRY. ISSN 1463-9084

Wang, Hongjuan, Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Chen, Xuebo, Fang, Weihai and Dolg, Michael ORCID: 0000-0002-0538-0837 (2015). Regulatory Mechanism of the Enantioselective Intramolecular Enone [2+2] Photocycloaddition Reaction Mediated by a Chiral Lewis Acid Catalyst Containing Heavy Atoms. Angew. Chem.-Int. Edit., 54 (48). S. 14295 - 14299. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3773

Dolg, Michael ORCID: 0000-0002-0538-0837, Cao, Xiaoyan ORCID: 0000-0002-3438-575X and Ciupka, Jan (2014). Misleading evidence for covalent bonding from (EuX)-X-III and (AmX)-X-III density functional theory bond lengths. J. Electron Spectrosc. Relat. Phenom., 194. S. 8 - 14. AMSTERDAM: ELSEVIER SCIENCE BV. ISSN 1873-2526

Weigand, Anna, Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Hangele, Tim and Dolg, Michael ORCID: 0000-0002-0538-0837 (2014). Relativistic Small-Core Pseudopotentials for Actinium, Thorium, and Protactinium. J. Phys. Chem. A, 118 (13). S. 2519 - 2531. WASHINGTON: AMER CHEMICAL SOC. ISSN 1520-5215

Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Heidelberg, Daniel, Ciupka, Jan and Dolg, Michael ORCID: 0000-0002-0538-0837 (2010). First-Principles Study of the Separation of Am-III/Cm-III from Eu-III with Cyanex301. Inorg. Chem., 49 (22). S. 10307 - 10316. WASHINGTON: AMER CHEMICAL SOC. ISSN 1520-510X