Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer
Pelzer, Kenley M, Vázquez-Mayagoitia, Álvaro, Ratcliff, Laura E, Tretiak, Sergei, Bair, Raymond A, Gray, Stephen K, Van Voorhis, Troy, Larsen, Ross E, Darling, Seth B
Published in Chemical science (Cambridge) (01.04.2017)
Published in Chemical science (Cambridge) (01.04.2017)
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Published in Chemical reviews (28.04.2021)
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PluginPlay: Enabling exascale scientific software one module at a time
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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Published in The Journal of chemical physics (14.05.2023)
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Preparing for the Future—Rethinking Proxy Applications
Matsuoka, Satoshi, Domke, Jens, Wahib, Mohamed, Drozd, Aleksandr, Chien, Andrew A., Bair, Raymond, Vetter, Jeffrey S., Shalf, John
Published in Computing in science & engineering (01.03.2022)
Published in Computing in science & engineering (01.03.2022)
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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
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, 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.
Published in Chemical reviews (31.03.2021)
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Published in Chemical reviews (31.03.2021)
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Development and Use of a Virtual NMR Facility
Keating, Kelly A, Myers, James D, Pelton, Jeffrey G, Bair, Raymond A, Wemmer, David E, Ellis, Paul D
Published in Journal of magnetic resonance (1997) (01.03.2000)
Published in Journal of magnetic resonance (1997) (01.03.2000)
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Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transferElectronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04547b
Pelzer, Kenley M, Vázquez-Mayagoitia, Álvaro, Ratcliff, Laura E, Tretiak, Sergei, Bair, Raymond A, Gray, Stephen K, Van Voorhis, Troy, Larsen, Ross E, Darling, Seth B
Year of Publication 28.03.2017
Year of Publication 28.03.2017
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Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04547b Click here for additional data file
Pelzer, Kenley M., Vázquez-Mayagoitia, Álvaro, Ratcliff, Laura E., Tretiak, Sergei, Bair, Raymond A., Gray, Stephen K., Van Voorhis, Troy, Larsen, Ross E., Darling, Seth B.
Published in Chemical science (Cambridge) (11.01.2017)
Published in Chemical science (Cambridge) (11.01.2017)
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Ab initio studies of the structures of peroxides and peroxy radicals
Bair, Raymond A, Goddard, William A
Published in Journal of the American Chemical Society (01.05.1982)
Published in Journal of the American Chemical Society (01.05.1982)
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A remotely programmable insulin delivery system. Successful short-term implantation in man
Schade, D S, Eaton, R P, Edwards, W S, Doberneck, R C, Spencer, W J, Carlson, G A, Bair, R E, Love, J T, Urenda, R S, Gaona, Jr, J I
Published in JAMA : the journal of the American Medical Association (02.04.1982)
Published in JAMA : the journal of the American Medical Association (02.04.1982)
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Large-scale simulations of buoyancy-driven turbulent nuclear burning
Townsley, D M, Bair, R A, Dubey, A, Fisher, R T, Hearn, N C, Lamb, D Q, Riley, K M
Published in Journal of physics. Conference series (01.07.2008)
Published in Journal of physics. Conference series (01.07.2008)
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Future therapy of the insulin-dependent diabetic patient--the implantable insulin delivery system
Schade, D S, Eaton, R P, Carlson, G A, Bair, R E, Gaona, Jr, J I, Love, J T, Urenda, R S, Spencer, W J
Published in Diabetes care (01.03.1981)
Published in Diabetes care (01.03.1981)
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NOT A GOOD DEAL: SOONER Edition
BAIR MONROEVILLE, RAYMOND E
Published in Pittsburgh post-gazette (Pittsburgh, Pa. 1978) (22.06.2004)
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Published in Pittsburgh post-gazette (Pittsburgh, Pa. 1978) (22.06.2004)
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A SENSELESS WAR: TWO STAR Edition
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Published in Pittsburgh post-gazette (Pittsburgh, Pa. 1978) (23.11.2003)
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Published in Pittsburgh post-gazette (Pittsburgh, Pa. 1978) (23.11.2003)
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