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Oxygen-driven unzipping of graphitic materials.
Li JL, Kudin KN, McAllister MJ, Prud'homme RK, Aksay IA, Car R. Li JL, et al. Among authors: car r. Phys Rev Lett. 2006 May 5;96(17):176101. doi: 10.1103/PhysRevLett.96.176101. Epub 2006 May 2. Phys Rev Lett. 2006. PMID: 16712313
A well-scaling natural orbital theory.
Gebauer R, Cohen MH, Car R. Gebauer R, et al. Among authors: car r. Proc Natl Acad Sci U S A. 2016 Nov 15;113(46):12913-12918. doi: 10.1073/pnas.1615729113. Epub 2016 Nov 1. Proc Natl Acad Sci U S A. 2016. PMID: 27803328 Free PMC article.
Ab initio theory and modeling of water.
Chen M, Ko HY, Remsing RC, Calegari Andrade MF, Santra B, Sun Z, Selloni A, Car R, Klein ML, Perdew JP, Wu X. Chen M, et al. Among authors: car r. Proc Natl Acad Sci U S A. 2017 Oct 10;114(41):10846-10851. doi: 10.1073/pnas.1712499114. Epub 2017 Sep 25. Proc Natl Acad Sci U S A. 2017. PMID: 28973868 Free PMC article.
Many-body effects in the X-ray absorption spectra of liquid water.
Tang F, Li Z, Zhang C, Louie SG, Car R, Qiu DY, Wu X. Tang F, et al. Among authors: car r. Proc Natl Acad Sci U S A. 2022 May 17;119(20):e2201258119. doi: 10.1073/pnas.2201258119. Epub 2022 May 13. Proc Natl Acad Sci U S A. 2022. PMID: 35561212 Free PMC article.
Homogeneous ice nucleation in an ab initio machine-learning model of water.
Piaggi PM, Weis J, Panagiotopoulos AZ, Debenedetti PG, Car R. Piaggi PM, et al. Among authors: car r. Proc Natl Acad Sci U S A. 2022 Aug 16;119(33):e2207294119. doi: 10.1073/pnas.2207294119. Epub 2022 Aug 8. Proc Natl Acad Sci U S A. 2022. PMID: 35939708 Free PMC article.
178 results