Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ... Journal of chemical theory and computation 13 (7), 3185-3197, 2017 | 583 | 2017 |

Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset … U Bozkaya, JM Turney, Y Yamaguchi, HF Schaefer III, CD Sherrill The Journal of chemical physics 135 (10), 104103, 2011 | 86 | 2011 |

Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems U Bozkaya The Journal of chemical physics 135 (22), 224103, 2011 | 47 | 2011 |

Network structure and swelling behavior of poly (acrylamide/crotonic acid) hydrogels in aqueous salt solutions T Çaykara, U Bozkaya, Ö Kantoğlu Journal of Polymer Science Part B: Polymer Physics 41 (14), 1656-1664, 2003 | 46 | 2003 |

Orbital-optimized coupled-electron pair theory and its analytic gradients: Accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions U Bozkaya, CD Sherrill The Journal of chemical physics 139 (5), 054104, 2013 | 42 | 2013 |

Analytic energy gradients for the orbital-optimized second-order Møller–Plesset perturbation theory U Bozkaya, CD Sherrill The Journal of Chemical Physics 138 (18), 184103, 2013 | 39 | 2013 |

Symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method: Improving upon CCSD (T) and CCSD (T) Λ: Preliminary application U Bozkaya, HF Schaefer III The Journal of Chemical Physics 136 (20), 204114, 2012 | 39 | 2012 |

Novel phenomena for aggregation induced emission enhancement: highly fluorescent hydrophobic TPE-BODIPY couples in both organic and aqueous media M Baglan, S Ozturk, B Gür, K Meral, U Bozkaya, OA Bozdemir, S Atılgan RSC advances 3 (36), 15866-15874, 2013 | 36 | 2013 |

Orbital-optimized second-order perturbation theory with density-fitting and cholesky decomposition approximations: An efficient implementation U Bozkaya Journal of chemical theory and computation 10 (6), 2371-2378, 2014 | 33 | 2014 |

The barrier height, unimolecular rate constant, and lifetime for the dissociation of U Bozkaya, JM Turney, Y Yamaguchi, HF Schaefer III The Journal of chemical physics 132 (6), 064308, 2010 | 33 | 2010 |

The extended Koopmans' theorem for orbital-optimized methods: Accurate computation of ionization potentials U Bozkaya The Journal of chemical physics 139 (15), 154105, 2013 | 30 | 2013 |

Assessment of Orbital-Optimized Third-Order Møller–Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics E Soydaş, U Bozkaya Journal of Chemical Theory and Computation 9 (3), 1452-1460, 2013 | 29 | 2013 |

Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset … U Bozkaya The Journal of chemical physics 141 (12), 124108, 2014 | 28 | 2014 |

The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO–NOH system: Energetics, unimolecular rate constants, tunneling and kinetic isotope effects … U Bozkaya, JM Turney, Y Yamaguchi, HF Schaefer III The Journal of Chemical Physics 136 (16), 164303, 2012 | 26 | 2012 |

Orbital-optimized MP2. 5 and its analytic gradients: Approaching CCSD (T) quality for noncovalent interactions U Bozkaya, CD Sherrill The Journal of Chemical Physics 141 (20), 204105, 2014 | 24 | 2014 |

Dihydroxylation of olefins catalyzed by zeolite-confined osmium (0) nanoclusters: an efficient and reusable method for the preparation of 1, 2-cis-diols Ö Metin, NA Alp, S Akbayrak, A Biçer, MS Gültekin, S Özkar, U Bozkaya Green Chemistry 14 (5), 1488-1492, 2012 | 24 | 2012 |

Accurate electron affinities from the extended Koopmans’ theorem based on orbital-optimized methods U Bozkaya Journal of chemical theory and computation 10 (5), 2041-2048, 2014 | 22 | 2014 |

Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation U Bozkaya, CD Sherrill The Journal of Chemical Physics 147 (4), 044104, 2017 | 21 | 2017 |

Orbital-Optimized MP3 and MP2. 5 with Density-Fitting and Cholesky Decomposition Approximations U Bozkaya Journal of Chemical Theory and Computation 12 (3), 1179-1188, 2016 | 21 | 2016 |

Assessment of orbital-optimized MP2. 5 for thermochemistry and kinetics: dramatic failures of standard perturbation theory approaches for aromatic bond dissociation energies … E Soydaş, U Bozkaya Journal of chemical theory and computation 11 (4), 1564-1573, 2015 | 21 | 2015 |