Mild partial deoxygenation of esters catalyzed by an oxazolinylborate-coordinated rhodium silylene von Xu, Songchen, Boschen, Jeffery S, Biswas, Abhranil, Kobayashi, Takeshi, Pruski, Marek, Windus, Theresa L, Sadow, Aaron D

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Developing a Computational Chemistry Framework for the Exascale Era von Richard, Ryan M., Bertoni, Colleen, Boschen, Jeffery S., Keipert, Kristopher, Pritchard, Benjamin, Valeev, Edward F., Harrison, Robert J., de Jong, Wibe A., Windus, Theresa L.

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Correlation Energy Extrapolation by Many-Body Expansion von Boschen, Jeffery S, Theis, Daniel, Ruedenberg, Klaus, Windus, Theresa L

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From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape von 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. J, Waldrop, Jonathan M, Williams-Young, David B, Yang, Chao, Zalewski, Marcin, Windus, Theresa L

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Accurate ab initio potential energy curves and spectroscopic properties of the four lowest singlet states of C2 von Boschen, Jeffery S., Theis, Daniel, Ruedenberg, Klaus, Windus, Theresa L.

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Size Dependence of S‑bonding on (111) Facets of Cu Nanoclusters von Boschen, Jeffery S, Lee, Jiyoung, Windus, Theresa L, Evans, James W, Liu, Da-Jiang

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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 von Lee, Jiyoung, Boschen, Jeffery S, Windus, Theresa L, Thiel, Patricia A, Liu, Da-Jiang

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Escape of anions from geminate recombination in THF due to charge delocalization von Chen, Hung-Cheng, Cook, Andrew R, Asaoka, Sadayuki, Boschen, Jeffery S, Windus, Theresa L, Miller, John R

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Comparison of S-adsorption on (111) and (100) facets of Cu nanoclusters von Boschen, Jeffery S., Lee, Jiyoung, Windus, Theresa L., Evans, James W., Thiel, Patricia A., Liu, Da-Jiang

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Correction: Escape of anions from geminate recombination in THF due to charge delocalization von Chen, Hung-Cheng, Cook, Andrew R, Asaoka, Sadayuki, Boschen, Jeffery S, Windus, Theresa L, Miller, John R

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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 von Lee, Jiyoung, Boschen, Jeffery S., Windus, Theresa L., Thiel, Patricia A., Liu, Da-Jiang

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From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape von Kowalski, Karol, Bair, Raymond, Bauman, Nicholas P., Boschen, Jeffery S., Bylaska, Eric J., Daily, Jeff, de Jong, Wibe A., Dunning, Jr., 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. J., Waldrop, Jonathan M., Williams-Young, David B., Yang, Chao, Zalewski, Marcin, Windus, Theresa L.

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From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape von 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.

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Mild partial deoxygenation of esters catalyzed by an oxazolinylborate-coordinated rhodium silyleneElectronic supplementary information (ESI) available: Experimental description of... von Xu, Songchen, Boschen, Jeffery S, Biswas, Abhranil, Kobayashi, Takeshi, Pruski, Marek, Windus, Theresa L, Sadow, Aaron D

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PluginPlay: Enabling exascale scientific software one module at a time von Richard, Ryan M., Keipert, Kristopher, Waldrop, Jonathan, Keçeli, Murat, Williams-Young, David, Bair, Raymond, Boschen, Jeffery, Crandall, Zachery, Gasperich, Kevin, Mahmud, Quazi Ishtiaque, Panyala, Ajay, Valeev, Edward, van Dam, Hubertus, de Jong, Wibe A., Windus, Theresa L.

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PluginPlay: Enabling exascale scientific software one module at a time von Richard, Ryan M., Keipert, Kristopher, Waldrop, Jonathan, Keçeli, Murat, Williams-Young, David, Bair, Raymond, Boschen, Jeffery, Crandall, Zachery, Gasperich, Kevin, Mahmud, Quazi Ishtiaque, Panyala, Ajay, Valeev, Edward, van Dam, Hubertus, de Jong, Wibe A., Windus, Theresa L.

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