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Journal Article
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
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
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
Dolg, Michael ORCID: 0000-0002-0538-0837, Cao, Xiaoyan, Zhang, Jun, Heinz, Norah and Weissmann, Daniel
(2016).
Quantum chemical modelling of the separation of Am(III) from Eu(III) by liquid-liquid extraction with Cyanex 272 and 301.
Abstr. Pap. Am. Chem. Soc., 251.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0065-7727
Heinz, Norah, Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837
(2014).
Actinoid(III) Hydration-First Principle Gibbs Energies of Hydration Using High Level Correlation Methods.
J. Chem. Theory Comput., 10 (12).
S. 5593 - 5599.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1549-9626
Li, Jilai ORCID: 0000-0002-3363-9164, Zhou, Shaodong
ORCID: 0000-0003-3048-4678, Zhang, Jun, Schlangen, Maria
ORCID: 0000-0002-8783-6788, Usharani, Dandamudi, Shaik, Sason and Schwarz, Helmut
ORCID: 0000-0002-3369-7997
(2016).
Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions.
J. Am. Chem. Soc., 138 (35).
S. 11368 - 11378.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1520-5126
Li, Jilai ORCID: 0000-0002-3363-9164, Zhou, Shaodong
ORCID: 0000-0003-3048-4678, Zhang, Jun, Schlangen, Maria
ORCID: 0000-0002-8783-6788, Weiske, Thomas
ORCID: 0000-0003-4756-2548, Usharani, Dandamudi, Shaik, Sason and Schwarz, Helmut
ORCID: 0000-0002-3369-7997
(2016).
Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2](+) (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer.
J. Am. Chem. Soc., 138 (25).
S. 7973 - 7982.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1520-5126
Pan, Jun, Song, Xuefeng, Zhang, Jun ORCID: 0000-0002-9831-6796, Shen, Hao
ORCID: 0000-0001-5098-7948 and Xiong, Qihua
ORCID: 0000-0002-2555-4363
(2011).
Switchable Wettability in SnO2 Nanowires and SnO2@SnO2 Heterostructures.
J. Phys. Chem. C, 115 (45).
S. 22225 - 22232.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1932-7447
Zeng, Guang, Zhang, Jun, Ye, Rui, Schadschneider, Andreas, Cao, Shuchao, Wang, Qiao and Song, Weiguo (2021). PEDESTRIAN DYNAMICS IN SINGLE-FILE MOVEMENT UNDER BACKGROUND MUSIC WITH DIFFERENT TEMPOS. Adv. Complex Syst., 24 (6). SINGAPORE: WORLD SCIENTIFIC PUBL CO PTE LTD. ISSN 1793-6802
Zhang, Haichang, Ying, Shian, Tieke, Bernd, Zhang, Jun and Yang, Wenjun (2015). 1,6-Naphthodipyrrolidone-based donor acceptor polymers with low bandgap. Polymer, 60. S. 215 - 221. OXFORD: ELSEVIER SCI LTD. ISSN 1873-2291
Zhang, Haichang, Ying, Shian, Tieke, Bernd, Zhang, Jun and Yang, Wenjun (2015). 1,6-Naphthodipyrrolidone-based donor acceptor polymers with low bandgap. Polymer, 60. S. 215 - 221. OXFORD: ELSEVIER SCI LTD. ISSN 1873-2291
Zhang, Haichang, Zhang, Jun and Tieke, Bernd (2014). A comparative study of polymers containing naphthodifuranone and benzodifuranone units in the main chain. Polym. Chem., 5 (2). S. 646 - 653. CAMBRIDGE: ROYAL SOC CHEMISTRY. ISSN 1759-9962
Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837
(2015).
ABCluster: the artificial bee colony algorithm for cluster global optimization.
Phys. Chem. Chem. Phys., 17 (37).
S. 24173 - 24182.
CAMBRIDGE:
ROYAL SOC CHEMISTRY.
ISSN 1463-9084
Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837
(2014).
Approaching the complete basis set limit of CCSD(T) for large systems by the third-order incremental dual-basis set zero-buffer F12 method.
J. Chem. Phys., 140 (4).
MELVILLE:
AMER INST PHYSICS.
ISSN 1089-7690
Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837
(2014).
Dispersion Interaction Stabilizes Sterically Hindered Double Fullerenes.
Chem.-Eur. J., 20 (43).
S. 13909 - 13913.
WEINHEIM:
WILEY-V C H VERLAG GMBH.
ISSN 1521-3765
Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837
(2016).
Global optimization of clusters of rigid molecules using the artificial bee colony algorithm.
Phys. Chem. Chem. Phys., 18 (4).
S. 3003 - 3011.
CAMBRIDGE:
ROYAL SOC CHEMISTRY.
ISSN 1463-9084
Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837
(2015).
Labile Capping Bonds in Lanthanide(III) Complexes: Shorter and Weaker.
J. Phys. Chem. A, 119 (4).
S. 774 - 781.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1089-5639
Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837
(2015).
Third-Order Incremental Dual-Basis Set Zero-Buffer Approach for Large High-Spin Open-Shell Systems.
J. Chem. Theory Comput., 11 (3).
S. 962 - 969.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1549-9626
Zhang, Jun and Dolg, Michael ORCID: 0000-0002-0538-0837
(2015).
Third-Order Incremental Dual-Basis Set Zero-Buffer Approach for Large High-Spin Open-Shell Systems.
J. Chem. Theory Comput., 11 (3).
S. 962 - 969.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1549-9626
Zhang, Jun, Heinz, Norah and Dolg, Michael ORCID: 0000-0002-0538-0837
(2014).
Understanding Lanthanoid(III) Hydration Structure and Kinetics by Insights from Energies and Wave functions.
Inorg. Chem., 53 (14).
S. 7700 - 7709.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1520-510X
Thesis
Zhang, Jun
(2015).
Incremental Scheme: A General Approach For Electron Correlation Computations of Large Molecules.
PhD thesis, Universität zu Köln.