Computational studies on the reactivity of alkyl halides over (Al2O3)nnanoclusters: an approach towards room temperature dehydrohalogenation

Santu Biswas, Anup Pramanik and Pranab Sarkar

Nanoscale, 2016, 8, 10205
DOI: 10.1039/C6NR00841K

Spin‐Selective, Competitive Hydrogen‐Atom Transfer versus CH2O‐Generation from the CH4/[ReO4]+ Couple at Ambient Conditions

Shaodong Zhou, Maria Schlangen and Helmut Schwarz

Chemistry A European J, 2017, 23, 17469
DOI: 10.1002/chem.201704892

Electronic Effects on Room-Temperature, Gas-Phase C–H Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge

Helmut Schwarz, Sason Shaik and Jilai Li

J. Am. Chem. Soc., 2017, 139, 17201
DOI: 10.1021/jacs.7b10139

Electronic Structure and Chemical Bonding of a Highly Stable and Aromatic Auro–Aluminum Oxide Cluster

Gary V. Lopez, Tian Jian, Wei-Li Li and Lai-Sheng Wang

J. Phys. Chem. A, 2014, 118, 5204
DOI: 10.1021/jp504236s

Comparative insight into activation of methane by ScAl2O2− and Sc from a theoretical study

Liang Junxi, Qi Bomiao, Duan Yu, Lu Mengmeng, Zhang Fupeng, Jia Weimin, Pang Shaofeng, Wang Yanbin and Su Qiong

Computational and Theoretical Chemistry, 2023, 1228, 114237
DOI: 10.1016/j.comptc.2023.114237

Synthesis, structural characterization, theoretical calculations and catecholase mimetic activity of manganese-Schiff base complexes

Monami Maiti, Dipali Sadhukhan, Santarupa Thakurta, Ennio Zangrando, Guillaume Pilet, Antonio Bauzá, Antonio Frontera, Bülent Dede and Samiran Mitra

Polyhedron, 2014, 75, 40
DOI: 10.1016/j.poly.2014.03.005

Direct Spectroscopic Confirmation of the Oxygen‐Centered Diradical Character of the Tetraoxidorhenium(VII) Cation [Re(O)4]+

Mayara da Silva Santos, Robert Medel, Simon Kruse, Max Flach, Olesya S. Ablyasova, Martin Timm, Bernd von Issendorff, Konstantin Hirsch, Vicente Zamudio‐Bayer, Sebastian Riedel and J. Tobias Lau

Chemistry Methods, 2024, 4
DOI: 10.1002/cmtd.202400023

Doping Effects in Cluster‐Mediated Bond Activation

Helmut Schwarz

Angew Chem Int Ed, 2015, 54, 10090
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Thermal Methane Conversion to Formaldehyde Promoted by Single Platinum Atoms in PtAl2O4− Cluster Anions

Yan‐Xia Zhao, Zi‐Yu Li, Zhen Yuan, Xiao‐Na Li and Sheng‐Gui He

Angewandte Chemie, 2014, 126, 9636
DOI: 10.1002/ange.201403953

Dotierungseffekte bei Cluster‐vermittelten Bindungsaktivierungen

Helmut Schwarz

Angewandte Chemie, 2015, 127, 10228
DOI: 10.1002/ange.201500649

Gas phase structures and charge localization in small aluminum oxide anions: Infrared photodissociation spectroscopy and electronic structure calculations

Xiaowei Song, Matias R. Fagiani, Sandy Gewinner, Wieland Schöllkopf, Knut R. Asmis, Florian A. Bischoff, Fabian Berger and Joachim Sauer

The Journal of Chemical Physics, 2016, 144
DOI: 10.1063/1.4954158

Selective Conversion of CH4 by MAl2O4− (M = Au and Pd): A Theoretical Study

Junxi Liang, Mengmeng Lu, Fang Ren, Yaoyu Zhou, Jie Gao, Xinjie Wang, Yalu Zhang, Pen Jin, Yanbin Wang and Qiong Su

ChemistrySelect, 2025, 10
DOI: 10.1002/slct.202500506

Generation and reactivity of putative support systems, Ce-Al neutral binary oxide nanoclusters: CO oxidation and C–H bond activation

Zhe-Chen Wang, Shi Yin and Elliot R. Bernstein

The Journal of Chemical Physics, 2013, 139, 194313
DOI: 10.1063/1.4830406

Thermal Methane Conversion to Formaldehyde Promoted by Single Platinum Atoms in PtAl2O4− Cluster Anions

Yan‐Xia Zhao, Zi‐Yu Li, Zhen Yuan, Xiao‐Na Li and Sheng‐Gui He

Angew Chem Int Ed, 2014, 53, 9482
DOI: 10.1002/anie.201403953

Activation and Transformation of Ethane by Au2VO3+ Clusters with Closed‐Shell Electronic Structures

Ya‐Ke Li, Zi‐Yu Li, Yan‐Xia Zhao, Qing‐Yu Liu, Jing‐Heng Meng and Sheng‐Gui He

Chemistry A European J, 2016, 22, 1825
DOI: 10.1002/chem.201503676

Effect of Alkyl Group on MxOy– + ROH (M = Mo, W; R = Me, Et) Reaction Rates

Manisha Ray, Sarah E. Waller and Caroline Chick Jarrold

J. Phys. Chem. A, 2016, 120, 1508
DOI: 10.1021/acs.jpca.6b00102

Methane Activation Mediated by Dual Gold Atoms Doped in Aluminium Oxide Cluster Cations Au2Al2O3+

Xiao‐Hong Zhou, Zi‐Yu Li, Li‐Xue Jiang, Sheng‐Gui He and Tong‐Mei Ma

ChemistrySelect, 2017, 2, 991
DOI: 10.1002/slct.201601868

Metal-mediated catalysis in the gas phase: A review

Xiao-Na Li, Xiu-Ping Zou and Sheng-Gui He

Chinese Journal of Catalysis, 2017, 38, 1515
DOI: 10.1016/S1872-2067(17)62782-7