Nonapproximated third-order exchange induction energy in symmetry-adapted perturbation theory von Waldrop, Jonathan M., Patkowski, Konrad

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Spin splittings from first-order symmetry-adapted perturbation theory without single-exchange approximation von Waldrop, Jonathan M., Patkowski, Konrad

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Projector-Based Quantum Embedding for Molecular Systems: An Investigation of Three Partitioning Approaches von Waldrop, Jonathan M, Windus, Theresa L, Govind, Niranjan

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Interactions of CO2 with cluster models of metal–organic frameworks von Waldrop, Jonathan M., Patkowski, Konrad

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Projector‐Based Quantum Embedding Study of Iron Complexes von Waldrop, Jonathan M., Panyala, Ajay, Mejia‐Rodriguez, Daniel, Windus, Theresa L., Govind, Niranjan

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Accurate ab initio potential for the krypton dimer and transport properties of the low-density krypton gas von Waldrop, Jonathan M, Song, Bo, Patkowski, Konrad, Wang, Xiaopo

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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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Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development von Smith, Daniel G. A, Burns, Lori A, Sirianni, Dominic A, Nascimento, Daniel R, Kumar, Ashutosh, James, Andrew M, Schriber, Jeffrey B, Zhang, Tianyuan, Zhang, Boyi, Abbott, Adam S, Berquist, Eric J, Lechner, Marvin H, Cunha, Leonardo A, Heide, Alexander G, Waldrop, Jonathan M, Takeshita, Tyler Y, Alenaizan, Asem, Neuhauser, Daniel, King, Rollin A, Simmonett, Andrew C, Turney, Justin M, Schaefer, Henry F, Evangelista, Francesco A, Crawford, T. Daniel, Patkowski, Konrad, Sherrill, C. David

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Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimer von Song, Bo, Waldrop, Jonathan M., Wang, Xiaopo, Patkowski, Konrad

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Interactions of CO 2 with cluster models of metal–organic frameworks von Waldrop, Jonathan M., Patkowski, Konrad

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P SI4 1.4: Open-source software for high-throughput quantum chemistry von Smith, Daniel G. A., Burns, Lori A., Simmonett, Andrew C., Parrish, Robert M., Schieber, Matthew C., Galvelis, Raimondas, Kraus, Peter, Kruse, Holger, Di Remigio, Roberto, Alenaizan, Asem, James, Andrew M., Lehtola, Susi, Misiewicz, Jonathon P., Scheurer, Maximilian, Shaw, Robert A., Schriber, Jeffrey B., Xie, Yi, Glick, Zachary L., Sirianni, Dominic A., O’Brien, Joseph Senan, Waldrop, Jonathan M., Kumar, Ashutosh, Hohenstein, Edward G., Pritchard, Benjamin P., Brooks, Bernard R., Schaefer, Henry F., Sokolov, Alexander Yu, Patkowski, Konrad, DePrince, A. Eugene, Bozkaya, Uğur, King, Rollin A., Evangelista, Francesco A., Turney, Justin M., Crawford, T. Daniel, Sherrill, C. David

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PSI4 1.4: Open-source software for high-throughput quantum chemistry von Smith, Daniel G. A., Burns, Lori A., Simmonett, Andrew C., Parrish, Robert M., Schieber, Matthew C., Galvelis, Raimondas, Kraus, Peter, Kruse, Holger, Di Remigio, Roberto, Alenaizan, Asem, James, Andrew M., Lehtola, Susi, Misiewicz, Jonathon P., Scheurer, Maximilian, Shaw, Robert A., Schriber, Jeffrey B., Xie, Yi, Glick, Zachary L., Sirianni, Dominic A., O’Brien, Joseph Senan, Waldrop, Jonathan M., Kumar, Ashutosh, Hohenstein, Edward G., Pritchard, Benjamin P., Brooks, Bernard R., Schaefer, Henry F., Sokolov, Alexander Yu, Patkowski, Konrad, DePrince, A. Eugene, Bozkaya, Uğur, King, Rollin A., Evangelista, Francesco A., Turney, Justin M., Crawford, T. Daniel, Sherrill, C. David

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P si 4N um P y : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development von Smith, Daniel G. A., Burns, Lori A., Sirianni, Dominic A., Nascimento, Daniel R., Kumar, Ashutosh, James, Andrew M., Schriber, Jeffrey B., Zhang, Tianyuan, Zhang, Boyi, Abbott, Adam S., Berquist, Eric J., Lechner, Marvin H., Cunha, Leonardo A., Heide, Alexander G., Waldrop, Jonathan M., Takeshita, Tyler Y., Alenaizan, Asem, Neuhauser, Daniel, King, Rollin A., Simmonett, Andrew C., Turney, Justin M., Schaefer, Henry F., Evangelista, Francesco A., DePrince, A. Eugene, Crawford, T. Daniel, Patkowski, Konrad, Sherrill, C. David

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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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PSI4 1.4: Open-source software for high-throughput quantumchemistry von Smith Daniel G A, Burns, Lori A, Simmonett, Andrew C, Parrish, Robert M, Schieber, Matthew C, Galvelis Raimondas, Kraus, Peter, Kruse Holger, Di Remigio Roberto, Alenaizan Asem, James, Andrew M, Lehtola Susi, Misiewicz, Jonathon P, Scheurer Maximilian, Shaw, Robert A, Schriber, Jeffrey B, Xie, Yi, Glick, Zachary L, Sirianni, Dominic A, O’Brien Joseph Senan, Waldrop, Jonathan M, Kumar, Ashutosh, Hohenstein, Edward G, Pritchard, Benjamin P, Brooks, Bernard R, Schaefer, Henry F, Sokolov, Alexander Yu, Patkowski Konrad, DePrince A Eugene III, Bozkaya Uğur, King, Rollin A, Evangelista, Francesco A, Turney, Justin M, David, Sherrill C

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Dug: a semantic search engine leveraging peer-reviewed knowledge to query biomedical data repositories von Waldrop, Alexander M, Cheadle, John B, Bradford, Kira, Preiss, Alexander, Chew, Robert, Holt, Jonathan R, Kebede, Yaphet, Braswell, Nathan, Watson, Matt, Hench, Virginia, Crerar, Andrew, Ball, Chris M, Schreep, Carl, Linebaugh, P J, Hiles, Hannah, Boyles, Rebecca, Bizon, Chris, Krishnamurthy, Ashok, Cox, Steve

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Unraveling the functional dark matter through global metagenomics von Pavlopoulos, Georgios A., Baltoumas, Fotis A., Liu, Sirui, Selvitopi, Oguz, Camargo, Antonio Pedro, Nayfach, Stephen, Azad, Ariful, Roux, Simon, Call, Lee, Ivanova, Natalia N., Chen, I. Min, Paez-Espino, David, Karatzas, Evangelos, Iliopoulos, Ioannis, Konstantinidis, Konstantinos, Tiedje, James M., Pett-Ridge, Jennifer, Baker, David, Visel, Axel, Ouzounis, Christos A., Ovchinnikov, Sergey, Buluç, Aydin, Kyrpides, Nikos C.

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Antenatal wildfire smoke exposure and hypertensive disorders of pregnancy von Waldrop, Anne R., Blumenfeld, Yair J., Mayo, Jonathan A., Panelli, Danielle M., Heft-Neal, Sam, Burke, Marshall, Leonard, Stephanie A., Shaw, Gary M.

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Prolonged Unconsciousness is Common in COVID‐19 and Associated with Hypoxemia von Waldrop, Greer, Safavynia, Seyed A., Barra, Megan E., Agarwal, Sachin, Berlin, David A., Boehme, Amelia K, Brodie, Daniel, Choi, Jacky M., Doyle, Kevin, Fins, Joseph J., Ganglberger, Wolfgang, Hoffman, Katherine, Mittel, Aaron M., Roh, David, Mukerji, Shibani S., Der Nigoghossian, Caroline, Park, Soojin, Schenck, Edward J., Salazar‐Schicchi, John, Shen, Qi, Sholle, Evan, Velazquez, Angela G., Walline, Maria C., Westover, M. Brandon, Brown, Emery N., Victor, Jonathan, Edlow, Brian L., Schiff, Nicholas D., Claassen, Jan

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