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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
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
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
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
Thesis
Zhang, Jun
(2015).
Incremental Scheme: A General Approach For Electron Correlation Computations of Large Molecules.
PhD thesis, Universität zu Köln.