Uğur Bozkaya

Avrasya University — Turkey

Physics and Astronomy · Physical Sciences

29h-index4.0kcitations92works0.52yr avg
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Research Topics

Advanced Chemical Physics Studies(57), Spectroscopy and Quantum Chemical Studies(18), Machine Learning in Materials Science(17), Free Radicals and Antioxidants(10), Photochemistry and Electron Transfer Studies(8)

Publications92 total

Equation-of-motion regularized orbital-optimized second-order perturbation theory with the density-fitting approximation
The Journal of Chemical Physics·2024
Equation‐of‐motion orbital‐optimized coupled‐cluster doubles method with the density‐fitting approximation: An efficient implementation
Journal of Computational Chemistry·2024Open Access
Reduction of 2-phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione with NaBH4: Investigation of exo-selectivity and reaction mechanism via theoretical computations
Journal of Molecular Structure·2024· 2 cited
New Doping Method in Conductive Polymers; Synthesis of Polyaniline Doped with this New Method
SSRN Electronic Journal·2024Open Access
Contributors
Elsevier eBooks·2023
Coupled-cluster theory and chemical reactivity
Elsevier eBooks·2023· 2 cited
CCDC 2157253: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2157145: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Linear-Scaling Systematic Molecular Fragmentation Approach for Perturbation Theory and Coupled-Cluster Methods
Journal of Chemical Theory and Computation·2022· 13 citedOpen Access
Accurate property prediction by second order perturbation theory: The REMP and OO-REMP hybrids
The Journal of Chemical Physics·2022· 1 cited
Bay- and peri-functionalized donor-acceptor perylene monoimides via nitration and nucleophilic substitution/reduction pathway
Materials Today Chemistry·2022· 5 cited
CCDC 2090073: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Regio- and stereo-chemical ring-opening reactions of the 2,3-epoxy alcohol derivative with nucleophiles: Explanation of the structures and C-2 selectivity supported by theoretical computations
Journal of Molecular Structure·2022· 7 cited
Efficient Implementation of Equation-of-Motion Coupled-Cluster Singles and Doubles Method with the Density-Fitting Approximation: An Enhanced Algorithm for the Particle–Particle Ladder Term
Journal of Chemical Theory and Computation·2022· 16 citedOpen Access
M<scp>acro</scp>QC 1.0: An electronic structure theory software for large-scale applications
The Journal of Chemical Physics·2022· 5 cited
Efficient and regioselective synthesis of dihydroxy-substituted 2-aminocyclooctane-1-carboxylic acid and its bicyclic derivatives
Beilstein Journal of Organic Chemistry·2022· 4 citedOpen Access
State-Of-The-Art Computations of Vertical Electron Affinities with the Extended Koopmans’ Theorem Integrated with the CCSD(T) Method
Journal of Chemical Theory and Computation·2021· 9 cited
Efficient implementations of the symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation
The Journal of Chemical Physics·2021· 9 cited
<scp>Molint</scp> 1.0: A framework for the computation of molecular integrals and their derivatives for <scp>density‐fitted</scp> methods
International Journal of Quantum Chemistry·2021· 2 cited
Anharmonic force field from coupled-cluster methods and accurate computation of infrared spectra
Advances in quantum chemistry·2021· 5 cited
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Frequent Co-authors

C. David Sherrill(11), Henry F. Schaefer(8), Justin M. Turney(7), Emine Soydaş(6), Lori A. Burns(5), Daniel G. A. Smith(5), Aslı Ünal(5), Robert M. Parrish(4), Andrew C. Simmonett(4), A. Eugene DePrince(4), Edward G. Hohenstein(4), Alexander Yu. Sokolov(4), Roberto Di Remigio(4), Andrew M. James(4), Ashutosh Kumar(4), Benjamin P. Pritchard(4), Konrad Patkowski(4), Rollin A. King(4), Francesco A. Evangelista(4), İlker Özkan(4)