| State-of-the-Art Computations of Vertical Ionization Potentials with the Extended Koopmans’ Theorem Integrated with the CCSD (T) Method U Bozkaya, A Ünal The Journal of Physical Chemistry A 122 (17), 4375-4380, 2018 | 16 | 2018 |
| Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation U Bozkaya, A Ünal, Y Alagöz The Journal of Chemical Physics 153 (24), 2020 | 14 | 2020 |
| Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics A Ünal, U Bozkaya The Journal of Chemical Physics 148 (12), 2018 | 9 | 2018 |
| Efficient implementations of the symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method with the density-fitting … Y Alagöz, A Ünal, U Bozkaya The Journal of Chemical Physics 155 (11), 2021 | 6 | 2021 |
| Efficient Implementation of Equation-of-Motion Coupled-Cluster Singles and Doubles Method with the Density-Fitting Approximation: An Enhanced Algorithm for the Particle … A Ünal, U Bozkaya Journal of Chemical Theory and Computation 18 (3), 1489-1500, 2022 | 5 | 2022 |
| Assessment of the Density-Fitted Second-Order Quasidegenerate Perturbation Theory for Transition Energies: Accurate Computations of Singlet–Triplet Gaps for Charge-Transfer … SA Servan, A Ünal, B Hamarat, U Bozkaya The Journal of Physical Chemistry A 124 (34), 6889-6898, 2020 | 5 | 2020 |
| Ionized water clusters , n = 2 to 6: A high‐accuracy study of structures and energetics A Ünal, U Bozkaya International Journal of Quantum Chemistry 120 (7), e26100, 2020 | 5 | 2020 |
| MacroQC 1.0: An electronic structure theory software for large-scale applications U Bozkaya, B Ermiş, Y Alagöz, A Ünal, AK Uyar The Journal of Chemical Physics 156 (4), 2022 | 4 | 2022 |
| Anharmonic force field from coupled-cluster methods and accurate computation of infrared spectra B Ermiş, A Ünal, E Soydaş, U Bozkaya Advances in Quantum Chemistry 83, 139-153, 2021 | 3 | 2021 |
| An anomalous addition of chlorosulfonyl isocyanate to a carbonyl group: the synthesis of ((3aS, 7aR, E)-2-ethyl-3-oxo-2, 3, 3a, 4, 7, 7a-hexahydro-1H-isoindol-1-ylidene … A Köse, A Ünal, E Şahin, U Bozkaya, Y Kara Beilstein Journal of Organic Chemistry 15 (1), 931-936, 2019 | 2 | 2019 |
| ETKİN BAĞLANMIŞ KÜME YÖNTEMLERİNİN PROGRAMLANMASI VE KİMYASAL UYGULAMALARI A Ünal Fen Bilimleri Enstitüsü, 2023 | | 2023 |
| TUNGSTEN ARİLOKSİT KOMPLEKSİNİN MODİFİYE EDİLMİŞ PS-DVB MİKROKÜRELERİNE İMMOBİLİZASYONU VE OLEFİNLERİN HALKA AÇILIM METATEZ POLİMERİZASYONUNA UYGULANMASI A ÜNAL Fen Bilimleri Enstitüsü, 2017 | | 2017 |
| MacroQC: An Electronic Structure Theory Software for Large-Scale Applications User’s Manual U Bozkaya, B Ermiş, Y Alagöz, A Ünal, AK Uyara | | |
