Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory von Smith, Daniel G. A, Burns, Lori A, Patkowski, Konrad, Sherrill, C. David

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Clinopyroxene precursors to amphibole sponge in arc crust von Smith, Daniel J.

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Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability von Parrish, Robert M, Burns, Lori A, Smith, Daniel G. A, Simmonett, Andrew C, DePrince, A. Eugene, Hohenstein, Edward G, Bozkaya, Uğur, Sokolov, Alexander Yu, Di Remigio, Roberto, Richard, Ryan M, Gonthier, Jérôme F, James, Andrew M, McAlexander, Harley R, Kumar, Ashutosh, Saitow, Masaaki, Wang, Xiao, Pritchard, Benjamin P, Verma, Prakash, Schaefer, Henry F, Patkowski, Konrad, King, Rollin A, Valeev, Edward F, Evangelista, Francesco A, Turney, Justin M, Crawford, T. Daniel, Sherrill, C. David

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On the relationship between Pathogenic Potential and Infective Inoculum von Smith, Daniel F Q, Casadevall, Arturo

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Prevalence and characteristics of probable major depression and bipolar disorder within UK biobank: cross-sectional study of 172,751 participants von Smith, Daniel J, Nicholl, Barbara I, Cullen, Breda, Martin, Daniel, Ul-Haq, Zia, Evans, Jonathan, Gill, Jason M R, Roberts, Beverly, Gallacher, John, Mackay, Daniel, Hotopf, Matthew, Deary, Ian, Craddock, Nick, Pell, Jill P

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Fungal immunity and pathogenesis in mammals versus the invertebrate model organism Galleria mellonella von F. Q. Smith, Daniel, Casadevall, Arturo

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Genome-wide association study of multisite chronic pain in UK Biobank von Johnston, Keira J A, Adams, Mark J, Nicholl, Barbara I, Ward, Joey, Strawbridge, Rona J, Ferguson, Amy, McIntosh, Andrew M, Bailey, Mark E S, Smith, Daniel J

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Cognitive Test Scores in UK Biobank: Data Reduction in 480,416 Participants and Longitudinal Stability in 20,346 Participants von Lyall, Donald M, Cullen, Breda, Allerhand, Mike, Smith, Daniel J, Mackay, Daniel, Evans, Jonathan, Anderson, Jana, Fawns-Ritchie, Chloe, McIntosh, Andrew M, Deary, Ian J, Pell, Jill P

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MBX: A many-body energy and force calculator for data-driven many-body simulations von Riera, Marc, Knight, Christopher, Bull-Vulpe, Ethan F., Zhu, Xuanyu, Agnew, Henry, Smith, Daniel G. A., Simmonett, Andrew C., Paesani, Francesco

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Depression and anxiety among people living with and beyond cancer: a growing clinical and research priority von Niedzwiedz, Claire L, Knifton, Lee, Robb, Kathryn A, Katikireddi, Srinivasa Vittal, Smith, Daniel J

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Glyphosate inhibits melanization and increases susceptibility to infection in insects von Smith, Daniel F Q, Camacho, Emma, Thakur, Raviraj, Barron, Alexander J, Dong, Yuemei, Dimopoulos, George, Broderick, Nichole A, Casadevall, Arturo

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Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science von Krylov, Anna, Windus, Theresa L., Barnes, Taylor, Marin-Rimoldi, Eliseo, Nash, Jessica A., Pritchard, Benjamin, Smith, Daniel G. A., Altarawy, Doaa, Saxe, Paul, Clementi, Cecilia, Crawford, T. Daniel, Harrison, Robert J., Jha, Shantenu, Pande, Vijay S., Head-Gordon, Teresa

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Reduced mood variability is associated with enhanced performance during ultrarunnning von Burgum, Paul, Smith, Daniel T

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Should we believe the results of ultraviolet–millimetre galaxy spectral energy distribution modelling? von Hayward, Christopher C., Smith, Daniel J. B.

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Development and Benchmarking of Open Force Field v1.0.0the Parsley Small-Molecule Force Field von Qiu, Yudong, Smith, Daniel G. A, Boothroyd, Simon, Jang, Hyesu, Hahn, David F, Wagner, Jeffrey, Bannan, Caitlin C, Gokey, Trevor, Lim, Victoria T, Stern, Chaya D, Rizzi, Andrea, Tjanaka, Bryon, Tresadern, Gary, Lucas, Xavier, Shirts, Michael R, Gilson, Michael K, Chodera, John D, Bayly, Christopher I, Mobley, David L, Wang, Lee-Ping

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A presaccadic perceptual impairment at the postsaccadic location of the blindspot von Smith, Daniel T, Beierholm, Ulrik, Avery, Mark

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OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy von Christensen, Anders S., Sirumalla, Sai Krishna, Qiao, Zhuoran, O’Connor, Michael B., Smith, Daniel G. A., Ding, Feizhi, Bygrave, Peter J., Anandkumar, Animashree, Welborn, Matthew, Manby, Frederick R., Miller, Thomas F.

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PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces von Abbott, Adam S, Turney, Justin M, Zhang, Boyi, Smith, Daniel G. A, Altarawy, Doaa, Schaefer, Henry F

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Sex-stratified genome-wide association study of multisite chronic pain in UK Biobank von Johnston, Keira J A, Ward, Joey, Ray, Pradipta R, Adams, Mark J, McIntosh, Andrew M, Smith, Blair H, Strawbridge, Rona J, Price, Theodore J, Smith, Daniel J, Nicholl, Barbara I, Bailey, Mark E S

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Implementation of symmetry-adapted perturbation theory based on density functional theory and using hybrid exchange–correlation kernels for dispersion terms von Xie, Yi, Smith, Daniel G. A., Sherrill, C. David

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