Uğur Bozkaya
Title
Cited by
Cited by
Year
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
5832017
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
862011
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
472011
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
462003
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
422013
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
392013
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
392012
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
362013
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
332014
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
332010
The extended Koopmans' theorem for orbital-optimized methods: Accurate computation of ionization potentials
U Bozkaya
The Journal of chemical physics 139 (15), 154105, 2013
302013
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
292013
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
282014
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
262012
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
242014
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
242012
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
222014
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
212017
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
212016
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
212015
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