Activity of Cu–Al–Oxo Extra-Framework Clusters for Selective Methane Oxidation on Cu-Exchanged Zeolites
Lee, Insu, Lee, Mal-Soon, Tao, Lei, Ikuno, Takaaki, Khare, Rachit, Jentys, Andreas, Huthwelker, Thomas, Borca, Camelia N., Kalinko, Aleksandr, Gutiérrez, Oliver Y., Govind, Niri, Fulton, John L., Hu, Jian Zhi, Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Sanchez-Sanchez, Maricruz, Lercher, Johannes A.
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Published in JACS Au (27.09.2021)
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Toward Understanding the Nature of Internal Rotation Barriers with a New Energy Partition Scheme: Ethane and n-Butane
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Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.07.2008)
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Theoretical study of the mechanism behind the para-selective nitration of toluene in zeolite H-Beta
Andersen, Amity, Govind, Niranjan, Subramanian, Lalitha
Published in Molecular simulation (01.09.2008)
Published in Molecular simulation (01.09.2008)
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NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations
Valiev, Marat, Bylaska, Eric J, Govind, Niri, Kowalski, Karol, Straatsma, Tjerk P, Van Dam, Hubertus J, Wang, Dunyou, Nieplocha, Jarek, de Jong, Wibe A, Apra, Edoardo, Windus, Theresa L
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Published in Computer physics communications (01.01.2010)
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Developments in Benchtop Spectrometers: A High Access XANES User Facility and a Compact Spectrometer for Energy Storage Research
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Published in Meeting abstracts (Electrochemical Society) (15.04.2017)
Published in Meeting abstracts (Electrochemical Society) (15.04.2017)
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