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1

An Adaptive Large Neighborhood Search for an E-grocery Delivery Routing Problem

Emeç, Uğur, Çatay, Bülent, Bozkaya, Burcin

Journal:

Computers & Operations Research

Année:

2015

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2015

2

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

Parrish, Robert M., Burns, Lori A., Smith, Daniel G. A., Simmonett, Andrew C., DePrince, A. Eugene, Hohenstein, Edward G., Bozkaya, Ugur, Sokolov, Alexander Yu., Di Remigio, Roberto, Richard, Ryan Mat

Journal:

Journal of Chemical Theory and Computation

Année:

2017

Langue:

english

Fichier:

PDF, 4.42 MB

english, 2017

3

Assessment of Orbital-Optimized Third-Order Møller–Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics

Soydaş, Emine, Bozkaya, Uğur

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 546 KB

english, 2013

4

Dihydroxylation of olefins catalyzed by zeolite-confined osmium(0) nanoclusters: an efficient and reusable method for the preparation of 1,2-cis-diols

Metin, Önder, Alp, Nurdan Alcan, Akbayrak, Serdar, Biçer, Abdullah, Gültekin, Mehmet Serdar, Özkar, Saim, Bozkaya, Uğur

Journal:

Green Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 268 KB

english, 2012

5

The ten chemically transparent dinitronaphthalene isomers and their radical anions

Bozkaya, Uğur, Schaefer, Henry F.

Journal:

Molecular Physics

Année:

2010

Langue:

english

Fichier:

PDF, 750 KB

english, 2010

6

Assessment of Orbital-Optimized MP2.5 for Thermochemistry and Kinetics: Dramatic Failures of Standard Perturbation Theory Approaches for Aromatic Bond Dissociation Energies and Barrier Heights of Radical Reactions

Soydaş, Emine, Bozkaya, Uğur

Journal:

Journal of Chemical Theory and Computation

Année:

2015

Langue:

english

Fichier:

PDF, 817 KB

english, 2015

7

Network structure and swelling behavior of poly(acrylamide/crotonic acid) hydrogels in aqueous salt solutions

Tuncer Çaykara, Uğur Bozkaya, Ömer Kantoğlu

Journal:

Journal of Polymer Science Part B: Polymer Physics

Année:

2003

Langue:

english

Fichier:

PDF, 119 KB

english, 2003

8

ChemInform Abstract: Dihydroxylation of Olefins Catalyzed by Zeolite-Confined Osmium(0) Nanoclusters: An Efficient and Reusable Method for the Preparation of 1,2-cis-Diols.

Oender Metin, Nurdan Alcan Alp, Serdar Akbayrak, Abdullah Bicer, Mehmet Serdar Gueltekin, Saim Oezkar, Ugur Bozkaya

Journal:

Année:

2012

Fichier:

PDF, 31 KB

2012

9

Theoretical Study of Thermal Rearrangements of 1-Hexen-5-yne, 1,2,5-Hexatriene, and 2-Methylenebicyclo[2.1.0]pentane

Bozkaya, Uğur, Özkan, Ilker

Journal:

Journal of Organic Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 2.18 MB

english, 2012

10

Levosimendan versus Dobutamine in Heart Failure Patients Treated Chronically with Carvedilol

Hamza Duygu, Ugur Turk, Oner Ozdogan, Serdar Akyuz, Bahadir Kirilmaz, Emin Alioglu, Ramazan Gunduz, Yasemin Turan Bozkaya, Cuneyt Turkoglu, Serdar Payzin

Journal:

Cardiovascular Therapeutics

Année:

2008

Langue:

english

Fichier:

PDF, 525 KB

english, 2008

11

Potential Energy Surfaces for Rearrangements of Berson Trimethylenemethanes

Bozkaya, Uǧur, Özkan, İlker

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 3.72 MB

english, 2012

12

Novel phenomena for aggregation induced emission enhancement: highly fluorescent hydrophobic TPE-BODIPY couples in both organic and aqueous media

Baglan, Melek, Ozturk, Sevilay, Gür, Bahri, Meral, Kadem, Bozkaya, Uğur, Bozdemir, O. Altan, Atılgan, Serdar

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 921 KB

english, 2013

13

Accurate Open-Shell Noncovalent Interaction Energies from the Orbital-Optimized Møller–Plesset Perturbation Theory: Achieving CCSD Quality at the MP2 Level by Orbital Optimization

Soydaş, Emine, Bozkaya, Uğur

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 376 KB

english, 2013

14

Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting and Cholesky Decomposition Approximations: An Efficient Implementation

Journal:

Journal of Chemical Theory and Computation

Année:

2014

Langue:

english

Fichier:

PDF, 448 KB

english, 2014

15

Accurate Electron Affinities from the Extended Koopmans’ Theorem Based on Orbital-Optimized Methods

Journal:

Journal of Chemical Theory and Computation

Année:

2014

Langue:

english

Fichier:

PDF, 715 KB

english, 2014

16

Analytic Energy Gradients and Spin Multiplicities for Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting Approximation: An Efficient Implementation

Journal:

Journal of Chemical Theory and Computation

Année:

2014

Langue:

english

Fichier:

PDF, 606 KB

english, 2014

17

Thermal Aromatizations of 2-Vinylmethylenecyclopropane and 3-Vinylcyclobutene

Bozkaya, Uğur, Özkan, İlker

Journal:

Journal of Organic Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 1.99 MB

english, 2012

18

Thermal Rearrangements of 1-Ethynyl-2-methylcyclopropane: A Computational Study

Bozkaya, Uğur, Özkan, l̇lker

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 2.14 MB

english, 2012

19

Thermal denitrogenation of 7-isopropylidene-2,3-diaza-norbornene: formation of substituted 3-methylene-(1,4)-pentadienes

Bozkaya, Uğur, Özkan, İlker

Journal:

Physical Chemistry Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 5.40 MB

english, 2012

20

Assessment of the orbital-optimized coupled-electron pair theory for thermochemistry and kinetics: Improving on CCSD and CEPA(1)

Soydaş, Emine, Bozkaya, Uğur

Journal:

Journal of Computational Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 641 KB

english, 2014

21

Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 623 KB

english, 2014

22

Orbital-optimized MP2.5 and its analytic gradients: Approaching CCSD(T) quality for noncovalent interactions

Bozkaya, Uğur, Sherrill, C. David

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 667 KB

english, 2014

23

Erratum: “Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory” [J. Chem. Phys. 141, 124108 (2014)]

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 364 KB

english, 2014

24

Orbital-Optimized MP3 and MP2.5 with Density-Fitting and Cholesky Decomposition Approximations

Journal:

Journal of Chemical Theory and Computation

Année:

2016

Langue:

english

Fichier:

PDF, 572 KB

english, 2016

25

Orbital-Optimized Linearized Coupled-Cluster Doubles with Density-Fitting and Cholesky Decomposition Approximations: An Efficient Implementation

Journal:

Physical Chemistry Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 945 KB

english, 2016

26

Assessment of the extended Koopmans' theorem for the chemical reactivity: Accurate computations of chemical potentials, chemical hardnesses, and electrophilicity indices

Yildiz, Dilan, Bozkaya, Uğur

Journal:

Journal of Computational Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 714 KB

english, 2016

27

Charge-Transfer Complex of p -Aminodiphenylamine with Maleic Anhydride: Spectroscopic, Electrochemical, and Physical Properties

Karaca, Erhan, Kaplan Can, Hatice, Bozkaya, Uğur, Özçiçek Pekmez, Nuran

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 1.62 MB

english, 2016

28

A rare γ-pyranopyrazole skeleton: design, one-pot synthesis and computational study

Üçüncü, Muhammed, Cantürk, Ceren, Karakuş, Erman, Zeybek, Hüseyin, Bozkaya, Uğur, Soydaş, Emine, Şahin, Ertan, Emrullahoğlu, Mustafa

Journal:

Organic & Biomolecular Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 946 KB

english, 2016

29

A noniterative asymmetric triple excitation correction for the density-fitted coupled-cluster singles and doubles method: Preliminary applications

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 378 KB

english, 2016

30

Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation

Bozkaya, Uğur, Sherrill, C. David

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 351 KB

english, 2016

31

Dihydropyridazine-appended dibenzosuberenones as a new class of fluorophores: Application to fluoride sensing

Koçak, Ramazan, Yıldız, Dilan, Bozkaya, Uğur, Daştan, Arif, Bozdemir, Özgür Altan

Journal:

Tetrahedron Letters

Année:

2017

Langue:

english

Fichier:

PDF, 822 KB

english, 2017

32

Analytic energy gradients for the orbital-optimized third-order Møller–Plesset perturbation theory

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 514 KB

english, 2013

33

Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation

Bozkaya, Uğur, Sherrill, C. David

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 512 KB

english, 2017

34

Transition Metal Cation–π Interactions: Complexes Formed by Fe 2+ , Co 2+ , Ni 2+ , Cu 2+ and Zn 2+ Binding with Benzene Molecules

Demircan, Çağla Aybüke, Bozkaya, Uğur

Journal:

Journal of Physical Chemistry A

Année:

2017

Langue:

english

Fichier:

PDF, 984 KB

english, 2017

35

Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation

Journal:

Journal of Computational Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 526 KB

english, 2017

36

State-of-the-Art Computations of Vertical Ionization Potentials with the Extended Koopmans' Theorem Integrated with the CCSD(T) Method

Bozkaya, Uğur, Unal, Asli

Journal:

Journal of Physical Chemistry A

Année:

2018

Langue:

english

Fichier:

PDF, 454 KB

english, 2018

37

Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics

Ünal, Aslı, Bozkaya, Uğur

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 648 KB

english, 2018

38

Aza-Nazarov Cyclization Reactions via Anion Exchange Catalysis

Donmez, Selin E., Soydaş, Emine, Aydın, Gökçen, Şahin, Onur, Bozkaya, Uğur, Türkmen, Yunus E.

Journal:

Organic Letters

Année:

2019

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2019

39

An anomalous addition of chlorosulfonyl isocyanate to a carbonyl group: the synthesis of ((3a S ,7a R , E )-2-ethyl-3-oxo-2,3,3a,4,7,7a-hexahydro-1 H -isoindol-1-ylidene)sulfamoyl chloride

Köse, Aytekin, Ünal, Aslı, Şahin, Ertan, Bozkaya, Uğur, Kara, Yunus

Journal:

Beilstein Journal of Organic Chemistry

Année:

2019

Fichier:

PDF, 1.89 MB

2019

40

Ionized water clusters , n = 2 to 6: A high‐accuracy study of structures and energetics

Ünal, Aslı, Bozkaya, Uğur

Journal:

International Journal of Quantum Chemistry

Année:

2019

Langue:

english

Fichier:

PDF, 2.42 MB

english, 2019

41

State‐of‐the‐art computations of dipole moments using analytic gradients of high‐level density‐fitted coupled‐cluster methods with focal‐point approximations

Bozkaya, Uğur, Soydaş, Emine, Filiz, Bahar

Journal:

Journal of Computational Chemistry

Année:

2019

Fichier:

PDF, 1.09 MB

2019