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U

Uğur Bozkaya

State University System of Florida

29H-index
92Paper Count
4.0KCitation Count
Published Papers 50
Publication Date
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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
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2025-01-01
err0
PREAI
errGundogdu, Ozlem; Atalay, Abdurrahman; Turhan, Pinar; Anil, Baris; Sahin, Ertan; Bozkaya, Ugur; Kishali, Nurhan H.; Kara, Yunus
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Equation-of-motion regularized orbital-optimized second-order perturbation theory with the density-fitting approximation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-16
err0
PREAI
errUnal, Asli; Bozkaya, Ugur
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Equation-of-motion orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-09-05
err0
errOAAI
errUnal, Asli; Bozkaya, Ugur
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Accurate property prediction by second order perturbation theory: The REMP and OO-REMP hybrids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-08
err0
PREAI
errBehnle, Stefan; Richter, Robert; Voelkl, Luca; Idzko, Paul; Foerstner, Andre; Bozkaya, Ugur; Fink, Reinhold F.
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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
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2022-09-01
err5
PREAI
errGundogdu, Ozlem; Atalay, Abdurrahman; Celebioglu, Neslihan; Anil, Baris; Sahin, Ertan; Sanli-Mohamed, Gulsah; Bozkaya, Ugur; Kara, Yunus
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Linear-Scaling Systematic Molecular Fragmentation Approach for Perturbation Theory and Coupled-Cluster Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-16
err8
errOAAI
errBozkaya, Ugur; Ermis, Betul
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Bay- and peri-functionalized donor-acceptor perylene monoimides via nitration and nucleophilic substitution/reduction pathway
errMATERIALS TODAY CHEMISTRY
IF6.7
err2022-06-01
err3
PREAI
errAltas, A.; Gultekin, D. D.; Acar, M.; Cucu, E.; Karatay, A.; Elmali, A.; Atalay, A.; Demircan, C. A.; Bozkaya, U.; Kazaz, C.; Sahin, E.; Bozdemir, O. . A.
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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
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-02-02
err3
errOAAI
errUnal, Asli; Bozkaya, Ugur
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MacroQC 1.0: An electronic structure theory software for large-scale applications
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-26
err4
PREAI
errBozkaya, Ugur; Ermis, Betuel; Alagoz, Yavuz; Unal, Asli; Uyar, Ali Kaan
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State-Of-The-Art Computations of Vertical Electron Affinities with the Extended Koopmans' Theorem Integrated with the CCSD(T) Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-11-02
err5
PREAI
errErmis, Betul; Ekinci, Emel; Bozkaya, Ugur
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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
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-15
err7
PREAI
errAlagoz, Yavuz; unal, Asli; Bozkaya, Ugur
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Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-28
err15
errOAAI
errBozkaya, Ugur; Unal, Asli; Alagoz, Yavuz
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Computational Study for the Reaction Mechanism of N-Hydroxyphthalimide-Catalyzed Oxidative Cleavage of Alkenes
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2020-07-16
err5
PREAI
errEssiz, Selcuk; Bozkaya, Ugur
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PSI4 1.4: Open-source software for high-throughput quantum chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-13
err684
errOAAI
errSmith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M.; Lehtola, Susi; Misiewicz, Jonathon P.; Scheurer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer, Henry F., III; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene, III; Bozkaya, Ugur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
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Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-03-26
err20
errOAAI
errWarden, Constance E.; Smith, Daniel G. A.; Burns, Lori A.; Bozkaya, Ugur; Sherrill, C. David
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Conformational Characterization of Polyelectrolyte Oligomers and Their Noncovalent Complexes Using Ion Mobility-Mass Spectrometry
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2020-01-03
err4
PREAI
errAtakay, Mehmet; Aksakal, Fatma; Bozkaya, Ugur; Salih, Bekir; Wesdemiotis, Chrys
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State-of-the-art computations of dipole moments using analytic gradients of high-level density-fitted coupled-cluster methods with focal-point approximations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2019-12-14
err7
PREAI
errBozkaya, Ugur; Soydas, Emine; Filiz, Bahar
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Efficient Implementation of the Second-Order Quasidegenerate Perturbation Theory with Density-Fitting and Cholesky Decomposition Approximations: Is It Possible To Use Hartree-Fock Orbitals for a Multiconfigurational Perturbation Theory?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-07-18
err13
PREAI
errBozkaya, Ugur
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Aza-Nazarov Cyclization Reactions via Anion Exchange Catalysis
errORGANIC LETTERS
IF5
err2019-01-08
err13
PREAI
errDonmez, Selin E.; Soydas, Emine; Aydin, Gokcen; Sahin, Onur; Bozkaya, Ugur; Turkmen, Yunus E.
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Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-03-27
err7
PREAI
errUnal, Asli; Bozkaya, Ugur
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Research Directions

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Co-authors
Cooperation Journals
H
Henry F. Schaefer
H-index: 128 · Papers: 2.2K
C
C. David Sherrill
H-index: 85 · Papers: 286
B
Bernard R. Brooks
H-index: 76 · Papers: 419
S
Saim Özkâr
H-index: 70 · Papers: 329
C
Chrys Wesdemiotis
H-index: 63 · Papers: 374
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