Prof.Dr. UĞUR BOZKAYA
Ana Sayfa
Eğitim Bilgileri
Araştırma Alanları
Mesleki Deneyim
Yayınlar & Eserler
Proje & Patent & Tasarım
Bilimsel Faaliyetler
Başarılar & Tanınırlık
Duyurular & Dokümanlar
İletişim
Özgeçmiş Dosyası İndir
Türkçe
English
Hacettepe Üniversitesi
Akademik Veri Yönetim Sistemi
English
Akademik Veri Yönetim Sistemi
English
Yayınlar & Eserler
SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler
Polarization-Enhanced Hydrogen Bonding in 1,8-Dihydroxynaphthalene: Conformational Analysis, Binding Studies and Hydrogen Bonding Catalysis
Mammadova F.
,
Hamarat B.
,
Ahmadli D.
,
ŞAHİN O.
,
BOZKAYA U.
,
TÜRKMEN Y. E.
CHEMISTRYSELECT, cilt.5, sa.42, ss.13387-13396, 2020 (SCI İndekslerine Giren Dergi)
Assessment of the Density-Fitted Second-Order Quasidegenerate Perturbation Theory for Transition Energies: Accurate Computations of Singlet-Triplet Gaps for Charge-Transfer Compounds
Servan S. A.
,
ÜNAL A.
,
Hamarat B.
,
BOZKAYA U.
JOURNAL OF PHYSICAL CHEMISTRY A, cilt.124, sa.34, ss.6889-6898, 2020 (SCI İndekslerine Giren Dergi)
Computational Study for the Reaction Mechanism of N-Hydroxyphthalimide-Catalyzed Oxidative Cleavage of Alkenes
EŞSİZ S.
,
BOZKAYA U.
JOURNAL OF ORGANIC CHEMISTRY, cilt.85, sa.15, ss.10136-10142, 2020 (SCI İndekslerine Giren Dergi)
PSI4 1.4: Open-source software for high-throughput quantum chemistry
Smith D. G. A.
,
Burns L. A.
,
Simmonett A. C.
,
Parrish R. M.
,
Schieber M. C.
,
Galvelis R.
, et al.
JOURNAL OF CHEMICAL PHYSICS, cilt.152, sa.18, 2020 (SCI İndekslerine Giren Dergi)
Ionized water clusters (H2O)(n)(+), n=2 to 6: A high-accuracy study of structures and energetics
ÜNAL A.
,
BOZKAYA U.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, cilt.120, sa.7, 2020 (SCI İndekslerine Giren Dergi)
State-of-the-art computations of dipole moments using analytic gradients of high-level density-fitted coupled-cluster methods with focal-point approximations
BOZKAYA U.
,
Soydas E.
,
Filiz B.
JOURNAL OF COMPUTATIONAL CHEMISTRY, cilt.41, sa.8, 2020 (SCI İndekslerine Giren Dergi)
Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory
Warden C. E.
,
Smith D. G. A.
,
Burns L. A.
,
BOZKAYA U.
,
Sherrill C. D.
JOURNAL OF CHEMICAL PHYSICS, cilt.152, sa.12, 2020 (SCI İndekslerine Giren Dergi)
Conformational Characterization of Polyelectrolyte Oligomers and Their Noncovalent Complexes Using Ion Mobility-Mass Spectrometry
ATAKAY M.
,
Aksakal F.
,
BOZKAYA U.
,
SALİH B.
,
Wesdemiotis C.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, cilt.31, sa.2, ss.441-449, 2020 (SCI İndekslerine Giren Dergi)
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?
BOZKAYA U.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, cilt.15, sa.8, ss.4415-4429, 2019 (SCI İndekslerine Giren Dergi)
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
KÖSE A.
,
ÜNAL A.
,
ŞAHİN E.
,
BOZKAYA U.
,
KARA Y.
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY, cilt.15, ss.931-936, 2019 (SCI İndekslerine Giren Dergi)
Aza-Nazarov Cyclization Reactions via Anion Exchange Catalysis
Donmez S. E.
,
Soydas E.
,
Aydin G.
,
ŞAHİN O.
,
BOZKAYA U.
,
TÜRKMEN Y. E.
ORGANIC LETTERS, cilt.21, sa.2, ss.554-558, 2019 (SCI İndekslerine Giren Dergi)
State-of-the-Art Computations of Vertical Ionization Potentials with the Extended Koopmans' Theorem Integrated with the CCSD(T) Method
BOZKAYA U.
,
ÜNAL A.
JOURNAL OF PHYSICAL CHEMISTRY A, cilt.122, sa.17, ss.4375-4380, 2018 (SCI İndekslerine Giren Dergi)
Analytic Energy Gradients for Orbital-Optimized MP3 and MP2.5 with the Density-Fitting Approximation: An Efficient Implementation
BOZKAYA U.
JOURNAL OF COMPUTATIONAL CHEMISTRY, cilt.39, sa.7, ss.351-360, 2018 (SCI İndekslerine Giren Dergi)
Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics
ÜNAL A.
,
BOZKAYA U.
JOURNAL OF CHEMICAL PHYSICS, cilt.148, sa.12, 2018 (SCI İndekslerine Giren Dergi)
Transition Metal Cation-pi Interactions: Complexes Formed by Fe2+, Co2+, Ni2+, Cu2+, and Zn2+ Binding with Benzene Molecules
Demircan C. A.
,
BOZKAYA U.
JOURNAL OF PHYSICAL CHEMISTRY A, cilt.121, sa.34, ss.6500-6509, 2017 (SCI İndekslerine Giren Dergi)
Dihydropyridazine-appended dibenzosuberenones as a new class of fluorophores: Application to fluoride sensing
Kocak R.
,
Yildiz D.
,
BOZKAYA U.
,
DAŞTAN A.
,
BOZDEMİR Ö. A.
TETRAHEDRON LETTERS, cilt.58, sa.30, ss.2981-2985, 2017 (SCI İndekslerine Giren Dergi)
PSI4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Parrish R. M.
,
Burns L. A.
,
Smith D. G. A.
,
Simmonett A. C.
,
DePrince A. E.
,
Hohenstein E. G.
, et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, cilt.13, sa.7, ss.3185-3197, 2017 (SCI İndekslerine Giren Dergi)
Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation
BOZKAYA U.
,
Sherrill C. D.
JOURNAL OF CHEMICAL PHYSICS, cilt.147, sa.4, 2017 (SCI İndekslerine Giren Dergi)
Charge-Transfer Complex of p-Aminodiphenylamine with Maleic Anhydride: Spectroscopic, Electrochemical, and Physical Properties
KARACA E.
,
Can H. K.
,
BOZKAYA U.
,
Pekmez N. O.
CHEMPHYSCHEM, cilt.17, sa.13, ss.2056-2065, 2016 (SCI İndekslerine Giren Dergi)
Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation
BOZKAYA U.
,
Sherrill C. D.
JOURNAL OF CHEMICAL PHYSICS, cilt.144, sa.17, 2016 (SCI İndekslerine Giren Dergi)
A noniterative asymmetric triple excitation correction for the density-fitted coupled-cluster singles and doubles method: Preliminary applications
BOZKAYA U.
JOURNAL OF CHEMICAL PHYSICS, cilt.144, sa.14, 2016 (SCI İndekslerine Giren Dergi)
Orbital-optimized linearized coupled-cluster doubles with density-fitting and Cholesky decomposition approximations: an efficient implementation
BOZKAYA U.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, cilt.18, sa.16, ss.11362-11373, 2016 (SCI İndekslerine Giren Dergi)
Orbital-Optimized MP3 and MP2.5 with Density-Fitting and Cholesky Decomposition Approximations
BOZKAYA U.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, cilt.12, sa.3, ss.1179-1188, 2016 (SCI İndekslerine Giren Dergi)
A rare gamma-pyranopyrazole skeleton: design, one-pot synthesis and computational study
Ucuncu M.
,
Canturk C.
,
Karakus E.
,
Zeybek H.
,
BOZKAYA U.
,
Soydas E.
, et al.
ORGANIC & BIOMOLECULAR CHEMISTRY, cilt.14, sa.31, ss.7490-7494, 2016 (SCI İndekslerine Giren Dergi)