Ugur Bozkaya: шукати на сайті Z-Library

Рік:

2017

Мова:

english

Файл:

PDF, 4.42 MB

english, 2017

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

Журнал:

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

Рік:

2013

Мова:

english

Файл:

PDF, 546 KB

english, 2013

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

Журнал:

Green Chemistry

Рік:

2012

Мова:

english

Файл:

PDF, 268 KB

english, 2012

The ten chemically transparent dinitronaphthalene isomers and their radical anions

Bozkaya, Uğur, Schaefer, Henry F.

Журнал:

Molecular Physics

Рік:

2010

Мова:

english

Файл:

PDF, 750 KB

english, 2010

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

Журнал:

Tuncer Çaykara, Uğur Bozkaya, Ömer Kantoğlu

Рік:

2015

Мова:

english

Файл:

PDF, 817 KB

english, 2015

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

Журнал:

Journal of Polymer Science Part B: Polymer Physics

Рік:

2003

Мова:

english

Файл:

PDF, 119 KB

english, 2003

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

Журнал:

ChemInform

Рік:

2012

Файл:

PDF, 31 KB

2012

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

Журнал:

Journal of Organic Chemistry

Рік:

2012

Мова:

english

Файл:

PDF, 2.18 MB

english, 2012

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

Журнал:

Cardiovascular Therapeutics

Рік:

2008

Мова:

english

Файл:

PDF, 525 KB

english, 2008

Potential Energy Surfaces for Rearrangements of Berson Trimethylenemethanes

Bozkaya, Uǧur, Özkan, İlker

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 3.72 MB

english, 2012

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

Журнал:

RSC Advances

Рік:

2013

Мова:

english

Файл:

PDF, 921 KB

english, 2013

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

Журнал:

Рік:

2013

Мова:

english

Файл:

PDF, 376 KB

english, 2013

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

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 448 KB

english, 2014

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

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 715 KB

english, 2014

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

Журнал:

Bozkaya, Uğur, Özkan, İlker

Рік:

2014

Мова:

english

Файл:

PDF, 606 KB

english, 2014

Thermal Aromatizations of 2-Vinylmethylenecyclopropane and 3-Vinylcyclobutene

Журнал:

Journal of Organic Chemistry

Рік:

2012

Мова:

english

Файл:

PDF, 1.99 MB

english, 2012

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

Bozkaya, Uğur, Özkan, l̇lker

Журнал:

Bozkaya, Uğur, Özkan, İlker

Рік:

2012

Мова:

english

Файл:

PDF, 2.14 MB

english, 2012

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

Журнал:

Physical Chemistry Chemical Physics

Рік:

2012

Мова:

english

Файл:

PDF, 5.40 MB

english, 2012

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

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 641 KB

english, 2014

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

Журнал:

Bozkaya, Uğur, Sherrill, C. David

Рік:

2014

Мова:

english

Файл:

PDF, 623 KB

english, 2014

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

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 667 KB

english, 2014

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)]

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 364 KB

english, 2014

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

Журнал:

Рік:

2016

Мова:

english

Файл:

PDF, 572 KB

english, 2016

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

Physical Chemistry Chemical Physics

Журнал:

Рік:

2016

Мова:

english

Файл:

PDF, 945 KB

english, 2016

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

Yildiz, Dilan, Bozkaya, Uğur

Журнал:

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

Рік:

2016

Мова:

english

Файл:

PDF, 714 KB

english, 2016

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

Журнал:

ChemPhysChem

Рік:

2016

Мова:

english

Файл:

PDF, 1.62 MB

english, 2016

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

Журнал:

Organic & Biomolecular Chemistry

Рік:

2016

Мова:

english

Файл:

PDF, 946 KB

english, 2016

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

Журнал:

Bozkaya, Uğur, Sherrill, C. David

Рік:

2016

Мова:

english

Файл:

PDF, 378 KB

english, 2016

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

Журнал:

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

Рік:

2016

Мова:

english

Файл:

PDF, 351 KB

english, 2016

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

Журнал:

Tetrahedron Letters

Рік:

2017

Мова:

english

Файл:

PDF, 822 KB

english, 2017

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

Журнал:

Bozkaya, Uğur, Sherrill, C. David

Рік:

2013

Мова:

english

Файл:

PDF, 514 KB

english, 2013

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

Журнал:

Demircan, Çağla Aybüke, Bozkaya, Uğur

Рік:

2017

Мова:

english

Файл:

PDF, 512 KB

english, 2017

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

Журнал:

Рік:

2017

Мова:

english

Файл:

PDF, 984 KB

english, 2017

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

Журнал:

Bozkaya, Uğur, Unal, Asli

Рік:

2017

Мова:

english

Файл:

PDF, 526 KB

english, 2017

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

Журнал:

Ünal, Aslı, Bozkaya, Uğur

Рік:

2018

Мова:

english

Файл:

PDF, 454 KB

english, 2018

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

Журнал:

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

Рік:

2018

Мова:

english

Файл:

PDF, 648 KB

english, 2018

Aza-Nazarov Cyclization Reactions via Anion Exchange Catalysis

Журнал:

Organic Letters

Рік:

2019

Мова:

english

Файл:

PDF, 1.23 MB

english, 2019

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

Журнал:

Beilstein Journal of Organic Chemistry

Рік:

2019

Файл:

PDF, 1.89 MB

2019

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

Ünal, Aslı, Bozkaya, Uğur

Журнал:

International Journal of Quantum Chemistry

Рік:

2019

Мова:

english

Файл:

PDF, 2.42 MB

english, 2019

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

Журнал: