Mild partial deoxygenation of esters catalyzed by an oxazolinylborate-coordinated rhodium silylene
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Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2015)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2015)
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Stabilization of X–Au–X Complexes on the Au(111) Surface: A Theoretical Investigation and Comparison of X = S, Cl, CH3S, and SiH3S
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Comparison of S-adsorption on (111) and (100) facets of Cu nanoclusters
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Published in The Journal of chemical physics (28.10.2016)
Published in The Journal of chemical physics (28.10.2016)
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Stabilization of X–Au–X Complexes on the Au(111) Surface: A Theoretical Investigation and Comparison of X = S, Cl, CH 3 S, and SiH 3 S
Lee, Jiyoung, Boschen, Jeffery S., Windus, Theresa L., Thiel, Patricia A., Liu, Da-Jiang
Published in Journal of physical chemistry. C (23.02.2017)
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Escape of anions from geminate recombination in THF due to charge delocalizationElectronic supplementary information (ESI) available: Additional transient absorption kinetic traces and spectra and descriptions of methods for measurement of extinction coefficients and yields. See DOI: 10.1039/c7cp05880b
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Year of Publication 13.12.2017
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From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape
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Published in Chemical reviews (31.03.2021)
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Published in Chemical reviews (31.03.2021)
Journal Article
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape
Kowalski, Karol, Bair, Raymond, Bauman, Nicholas P., Boschen, Jeffery S., Bylaska, Eric J., Daily, Jeff, de Jong, Wibe A., Dunning, Thom, Govind, Niranjan, Harrison, Robert J., Keçeli, Murat, Keipert, Kristopher, Krishnamoorthy, Sriram, Kumar, Suraj, Mutlu, Erdal, Palmer, Bruce, Panyala, Ajay, Peng, Bo, Richard, Ryan M., Straatsma, T. P., Sushko, Peter, Valeev, Edward F., Valiev, Marat, van Dam, Hubertus J., Waldrop, Jonathan M., Williams-Young, David B., Yang, Chao, Zalewski, Marcin, Windus, Theresa L.
Published in Chemical reviews (31.03.2021)
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Published in Chemical reviews (31.03.2021)
Journal Article
Mild partial deoxygenation of esters catalyzed by an oxazolinylborate-coordinated rhodium silyleneElectronic supplementary information (ESI) available: Experimental description of catalysis, solution-phase and solid-state NMR spectra, and computational results. See DOI: 10.1039/c5dt02844b
Xu, Songchen, Boschen, Jeffery S, Biswas, Abhranil, Kobayashi, Takeshi, Pruski, Marek, Windus, Theresa L, Sadow, Aaron D
Year of Publication 01.09.2015
Year of Publication 01.09.2015
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