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Uğur Bozkaya

Hacettepe University

59

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Anharmonic force field from coupled-cluster methods and accurate computation of infrared spectra

2021
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A computational study of the reaction mechanism of 2,2-azobis(isobutyronitrile)-initiated oxidative cleavage of geminal alkenes.

2021 Organic and Biomolecular Chemistry
- Selçuk Eşsiz
- Uğur Bozkaya
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Efficient implementations of the symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation.

2021 Journal of Chemical Physics
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Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation

2020 Journal of Chemical Physics
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Linear-Scaling Systematic Molecular Fragmentation Approach for High-Level Coupled-Cluster Methods: Coupled-Cluster Meets Macromolecules

2020 ChemRxiv
- Uğur Bozkaya
- Betül Ermiş
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ComputationalStudy for the ReactionMechanism of N ‑Hydroxyphthalimide-Catalyzed Oxidative Cleavage of Alkenes

2020 Journal of Organic Chemistry
- Selçuk Eşsiz
- Uğur Bozkaya
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Psi4 1.4: Open-source software for high-throughput quantum chemistry

2020 Journal of Chemical Physics
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Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory.

2020 Journal of Chemical Physics
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Conformational Characterization of Polyelectrolyte Oligomers and Their Noncovalent Complexes Using Ion Mobility-Mass Spectrometry

2020 Journal of the American Society for Mass Spectrometry
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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)sulfamoyl chloride

2019 Beilstein Journal of Organic Chemistry
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