Dr. Öğr. Üyesi FAHRİ ALKAN

Yayın Ağı

Makaleler 27

1. Theoretical investigation of steric effects on the S1 potential energy surface of o-carborane-anthracene derivatives

Alkan F.

Turkish Journal of Chemistry , cilt.47, sa.3, ss.646-655, 2023 (SCI-Expanded)

2. An Ultrastable 155-Nuclei Silver Nanocluster Protected by Thiacalix[4]arene and Cyclohexanethiol for Photothermal Conversion

Wang Z., ALKAN F., Aikens C. M., Kurmoo M., Zhang Z., Song K., et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , cilt.61, sa.31, 2022 (SCI-Expanded)

3. Revisiting the Role of Charge Transfer in the Emission Properties of Carborane-Fluorophore Systems: A TDDFT Investigation

TAHAOĞLU D., USTA H., ALKAN F.

JOURNAL OF PHYSICAL CHEMISTRY A , cilt.126, sa.26, ss.4199-4210, 2022 (SCI-Expanded)

4. External complexation of BODIPYs by CB[7] improves in-cell fluorescence imaging

Ayhan M. M., Ozcan E., ALKAN F., Cetin M., Un I., Bardelang D., et al.

MATERIALS ADVANCES , cilt.3, ss.547-553, 2022 (ESCI)

5. Theoretical investigation of substituent effects on the relative stabilities and electronic structure of [BnXn](2-) clusters

TAHAOĞLU D., ALKAN F., DURANDURDU M.

JOURNAL OF MOLECULAR MODELING , cilt.27, sa.12, 2021 (SCI-Expanded)

6. Understanding and Tailoring Excited State Properties in Solution-Processable Oligo(p-phenyleneethynylene)s: Highly Fluorescent Hybridized Local and Charge Transfer Character via Experiment and Theory

USTA H., ÇOŞUT B., ALKAN F.

JOURNAL OF PHYSICAL CHEMISTRY B , cilt.125, sa.42, ss.11717-11731, 2021 (SCI-Expanded)

7. Understanding the Effect of Symmetry Breaking on Plasmon Coupling from TDDFT

ALKAN F., Aikens C. M.

JOURNAL OF PHYSICAL CHEMISTRY C , cilt.125, sa.22, ss.12198-12206, 2021 (SCI-Expanded)

8. TD-DFTB study of optical properties of silver nanoparticle homodimers and heterodimers

Liu Z., Alkan F., Aikens C. M.

JOURNAL OF CHEMICAL PHYSICS , cilt.153, sa.14, 2020 (SCI-Expanded)

9. A hybridized local and charge transfer excited state for solution-processed non-doped green electroluminescence based on oligo(p-phenyleneethynylene)

USTA H., Alimli D., ÖZDEMİR R., Tekin E., ALKAN F., Kacar R., et al.

JOURNAL OF MATERIALS CHEMISTRY C , cilt.8, sa.24, ss.8047-8060, 2020 (SCI-Expanded)

10. Understanding plasmon coupling in nanoparticle dimers using molecular orbitals and configuration interaction

ALKAN F., Aikens C. M.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS , cilt.21, sa.41, ss.23065-23075, 2019 (SCI-Expanded)

11. Highly Efficient Deep-Blue Electroluminescence Based on a Solution-Processable A-pi-D-pi-A Oligo(p-phenyleneethynylene) Small Molecule

USTA H., Alimli D., ÖZDEMİR R., Dabak S., Zorlu Y., ALKAN F., et al.

ACS APPLIED MATERIALS & INTERFACES , cilt.11, sa.47, ss.44474-44486, 2019 (SCI-Expanded)

12. Understanding the Effect of Doping on Energetics and Electronic Structure for Au-25, Ag-25, and Au-38 Clusters

Alkan F., Pandeya P., Aikens C. M.

JOURNAL OF PHYSICAL CHEMISTRY C , cilt.123, sa.14, ss.9516-9527, 2019 (SCI-Expanded)

13. [Ag-48(C (CBu)-Bu-t)(20)(CrO4)(7)]: An Atomically Precise Silver Nanocluster Co-protected by Inorganic and Organic Ligands

Zhang S., Alkan F., Su H., Aikens C. M., Tung C., Sun D.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , cilt.141, sa.10, ss.4460-4467, 2019 (SCI-Expanded)

14. Different Silver Nanoparticles in One Crystal: Ag-210((PrPhS)-Pr-i)(71)(Ph3P)(5)Cl and Ag-211((PrPhS)-Pr-i)(71)(Ph3P)(6)Cl

Liu J., Alkan F., Wang Z., Zhang Z., Kurmoo M., Yan Z., et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , cilt.58, sa.1, ss.195-199, 2019 (SCI-Expanded)

15. Spin-orbit effects on the Te-125 magnetic-shielding tensor: A cluster-based ZORA/DFT investigation

Alkan F., Dybowski C.

SOLID STATE NUCLEAR MAGNETIC RESONANCE , cilt.95, ss.6-11, 2018 (SCI-Expanded)

16. TD-DFT and TD-DFTB Investigation of the Optical Properties and Electronic Structure of Silver Nanorods and Nanorod Dimers

Alkan F., Aikens C. M.

JOURNAL OF PHYSICAL CHEMISTRY C , cilt.122, sa.41, ss.23639-23650, 2018 (SCI-Expanded)

17. Relativistic DFT investigation of electronic structure effects arising from doping the Au-25 nanocluster with transition metals

Alkan F., Munoz-Castro A., Aikens C. M.

NANOSCALE , cilt.9, sa.41, ss.15825-15834, 2017 (SCI-Expanded)

18. Role of Exact Exchange and Relativistic Approximations in Calculating F-19 Magnetic Shielding in Solids Using a Cluster Ansatz

Alkan F., Holmes S. T., Dybowski C.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION , cilt.13, sa.10, ss.4741-4752, 2017 (SCI-Expanded)

19. Analysis of the Bond-Valence Method for Calculating Si-29 and P-31 Magnetic Shielding in Covalent Network Solids

Holmes S. T., Alkan F., Iuliucci R. J., Mueller K. T., Dybowski C.

JOURNAL OF COMPUTATIONAL CHEMISTRY , cilt.37, sa.18, ss.1704-1710, 2016 (SCI-Expanded)

20. Spin-orbit effects on the Sn-119 magnetic-shielding tensor in solids: a ZORA/DFT investigation

Alkan F., Holmes S. T., Iuliucci R. J., Mueller K. T., Dybowski C.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS , cilt.18, sa.28, ss.18914-18922, 2016 (SCI-Expanded)

21. Ion pairing in H2O and D2O solutions of lead nitrate, as determined with Pb-207 NMR spectroscopy

Alkan F., Small T., Bai S., Dominowski A., Dybowski C.

JOURNAL OF STRUCTURAL CHEMISTRY , cilt.57, sa.2, ss.369-375, 2016 (SCI-Expanded)

22. Effect of Co-Ordination Chemistry and Oxidation State on the Pb-207 Magnetic-Shielding Tensor: A DFT/ZORA Investigation

Alkan F., Dybowski C.

JOURNAL OF PHYSICAL CHEMISTRY A , cilt.120, sa.1, ss.161-168, 2016 (SCI-Expanded)

23. Chemical-shift tensors of heavy nuclei in network solids: a DFT/ZORA investigation of Pb-207 chemical-shift tensors using the bond-valence method

Alkan F., Dybowski C.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS , cilt.17, sa.38, ss.25014-25026, 2015 (SCI-Expanded)

24. Pb-207 and Sn-119 Solid-State NMR and Relativistic Density Functional Theory Studies of the Historic Pigment Lead-Tin Yellow Type I and Its Reactivity in Oil Paintings

Catalano J., Murphy A., Yao Y., Alkan F., Zurnbulyadis N., Centeno S. A., et al.

JOURNAL OF PHYSICAL CHEMISTRY A , cilt.118, sa.36, ss.7952-7958, 2014 (SCI-Expanded)

25. Calculation of chemical-shift tensors of heavy nuclei: a DFT/ZORA investigation of Hg-199 chemical-shift tensors in solids, and the effects of cluster size and electronic-state approximations

Alkan F., Dybowski C.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS , cilt.16, sa.27, ss.14298-14308, 2014 (SCI-Expanded)

26. A Combined NMR and DFT Study of Narrow Gap Semiconductors: The Case of PbTe

Taylor R. E., Alkan F., Koumoulis D., Lake M. P., King D., Dybowski C., et al.

JOURNAL OF PHYSICAL CHEMISTRY C , cilt.117, sa.17, ss.8959-8967, 2013 (SCI-Expanded)

27. Theoretical investigation of excited states of oligothiophene anions

Alkan F., Salzner U.

JOURNAL OF PHYSICAL CHEMISTRY A , cilt.112, sa.27, ss.6053-6058, 2008 (SCI-Expanded)

Hakemli Bilimsel Toplantılarda Yayımlanmış Bildiriler 2

1. Theoretical investigation of the electronic structure and stability for doped Au25 clusters

Alkan F., Munoz Castro A., Aikens C.

255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, Louisiana, Amerika Birleşik Devletleri, 18 - 22 Mart 2018, cilt.255

2. TD-DFTB investigation of electronic structure and optical properties of silver nanorods and nanorod dimers

Alkan F., Aikens C.

255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, Louisiana, Amerika Birleşik Devletleri, 18 - 22 Mart 2018, cilt.255

Metrikler

Dr. Öğr. Üyesi FAHRİ ALKAN

Yayınlar & Eserler

1. Theoretical investigation of steric effects on the S1 potential energy surface of o-carborane-anthracene derivatives

2. An Ultrastable 155-Nuclei Silver Nanocluster Protected by Thiacalix[4]arene and Cyclohexanethiol for Photothermal Conversion

3. Revisiting the Role of Charge Transfer in the Emission Properties of Carborane-Fluorophore Systems: A TDDFT Investigation

4. External complexation of BODIPYs by CB[7] improves in-cell fluorescence imaging

5. Theoretical investigation of substituent effects on the relative stabilities and electronic structure of [BnXn](2-) clusters

6. Understanding and Tailoring Excited State Properties in Solution-Processable Oligo(p-phenyleneethynylene)s: Highly Fluorescent Hybridized Local and Charge Transfer Character via Experiment and Theory

7. Understanding the Effect of Symmetry Breaking on Plasmon Coupling from TDDFT

8. TD-DFTB study of optical properties of silver nanoparticle homodimers and heterodimers

9. A hybridized local and charge transfer excited state for solution-processed non-doped green electroluminescence based on oligo(p-phenyleneethynylene)

10. Understanding plasmon coupling in nanoparticle dimers using molecular orbitals and configuration interaction

11. Highly Efficient Deep-Blue Electroluminescence Based on a Solution-Processable A-pi-D-pi-A Oligo(p-phenyleneethynylene) Small Molecule

12. Understanding the Effect of Doping on Energetics and Electronic Structure for Au-25, Ag-25, and Au-38 Clusters

13. [Ag-48(C (CBu)-Bu-t)(20)(CrO4)(7)]: An Atomically Precise Silver Nanocluster Co-protected by Inorganic and Organic Ligands

14. Different Silver Nanoparticles in One Crystal: Ag-210((PrPhS)-Pr-i)(71)(Ph3P)(5)Cl and Ag-211((PrPhS)-Pr-i)(71)(Ph3P)(6)Cl

15. Spin-orbit effects on the Te-125 magnetic-shielding tensor: A cluster-based ZORA/DFT investigation

16. TD-DFT and TD-DFTB Investigation of the Optical Properties and Electronic Structure of Silver Nanorods and Nanorod Dimers

17. Relativistic DFT investigation of electronic structure effects arising from doping the Au-25 nanocluster with transition metals

18. Role of Exact Exchange and Relativistic Approximations in Calculating F-19 Magnetic Shielding in Solids Using a Cluster Ansatz

19. Analysis of the Bond-Valence Method for Calculating Si-29 and P-31 Magnetic Shielding in Covalent Network Solids

20. Spin-orbit effects on the Sn-119 magnetic-shielding tensor in solids: a ZORA/DFT investigation

21. Ion pairing in H2O and D2O solutions of lead nitrate, as determined with Pb-207 NMR spectroscopy

22. Effect of Co-Ordination Chemistry and Oxidation State on the Pb-207 Magnetic-Shielding Tensor: A DFT/ZORA Investigation

23. Chemical-shift tensors of heavy nuclei in network solids: a DFT/ZORA investigation of Pb-207 chemical-shift tensors using the bond-valence method

24. Pb-207 and Sn-119 Solid-State NMR and Relativistic Density Functional Theory Studies of the Historic Pigment Lead-Tin Yellow Type I and Its Reactivity in Oil Paintings

25. Calculation of chemical-shift tensors of heavy nuclei: a DFT/ZORA investigation of Hg-199 chemical-shift tensors in solids, and the effects of cluster size and electronic-state approximations

26. A Combined NMR and DFT Study of Narrow Gap Semiconductors: The Case of PbTe

27. Theoretical investigation of excited states of oligothiophene anions

1. Theoretical investigation of the electronic structure and stability for doped Au25 clusters

2. TD-DFTB investigation of electronic structure and optical properties of silver nanorods and nanorod dimers

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