F. Alkan

发表

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

Sean T. Holmes, C. Dybowski, Fahri Alkan, 2017, Journal of chemical theory and computation.

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

Sean T. Holmes, K. Mueller, C. Dybowski, 2016, Physical chemistry chemical physics : PCCP.

[Ag48(C≡C tBu)20(CrO4)7]: An Atomically Precise Silver Nanocluster Co-protected by Inorganic and Organic Ligands.

C. Tung, Shan-Shan Zhang, Di Sun, 2019, Journal of the American Chemical Society.

Different Silver Nanoparticles in One Crystal: Ag210 (i PrPhS)71 (Ph3 P)5 Cl and Ag211 (i PrPhS)71 (Ph3 P)6 Cl.

C. Tung, Di Sun, C. Aikens, 2018, Angewandte Chemie.

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

C. Dybowski, Fahri Alkan, F. Alkan, 2014, Physical chemistry chemical physics : PCCP.

207Pb and 119Sn solid-state NMR and relativistic density functional theory studies of the historic pigment lead-tin yellow type I and its reactivity in oil paintings.

C. Dybowski, Yao Yao, N. Zumbulyadis, 2014, The journal of physical chemistry. A.

Understanding the Effect of Doping on Energetics and Electronic Structure for Au25, Ag25, and Au38 Clusters

C. Aikens, Fahri Alkan, Pratima Pandeya, 2019, The Journal of Physical Chemistry C.

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

C. Dybowski, L. Bouchard, D. Koumoulis, 2013, 1506.06340.

Atomically precise gold nanoclusters at the molecular-to-metallic transition with intrinsic chirality from surface layers

Xiaozhou Luo, Shengli Zhuang, Jian He, 2023, Nature communications.

Understanding the Effect of Symmetry Breaking on Plasmon Coupling from TDDFT

C. Aikens, F. Alkan, 2021 .

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

A. G. Gürek, H. Usta, E. Mutlugun, 2020, Journal of Materials Chemistry C.

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

C. Dybowski, Fahri Alkan, F. Alkan, 2018, Solid state nuclear magnetic resonance.

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

C. Dybowski, Fahri Alkan, F. Alkan, 2016, The journal of physical chemistry. A.

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

C. Dybowski, Fahri Alkan, F. Alkan, 2015, Physical chemistry chemical physics : PCCP.

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

C. Aikens, Christine M. Aikens, F. Alkan, 2018, The journal of physical chemistry. C, Nanomaterials and interfaces.

Relativistic DFT investigation of electronic structure effects arising from doping the Au25 nanocluster with transition metals.

C. Aikens, À. Muñoz-Castro, Christine M. Aikens, 2017, Nanoscale.

Different Silver Nanoparticles in One Crystal: Ag210 ( i PrPhS)71 (Ph3 P)5 Cl and Ag211 ( i PrPhS)71 (Ph3 P)6 Cl

C. Tung, C. Aikens, M. Kurmoo, 2018, Angewandte Chemie.

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.

H. Usta, Bünyemin Çoşut, F. Alkan, 2021, The journal of physical chemistry. B.

Theoretical investigation of substituent effects on the relative stabilities and electronic structure of [BnXn]2− clusters

M. Durandurdu, Fahri Alkan, Duygu Tahaoğlu, 2021, Journal of Molecular Modeling.

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

C. Aikens, Zhen Liu, Christine M. Aikens, 2020, The Journal of chemical physics.

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

C. Aikens, F. Alkan, 2019, Physical chemistry chemical physics : PCCP.

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

H. Usta, E. Tekin, Y. Zorlu, 2019, ACS applied materials & interfaces.

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

H. Usta, Fahri Alkan, Duygu Tahaoğlu, 2022, The journal of physical chemistry. A.

Advances in the computation of NMR parameters for inorganic nuclides

Sean T. Holmes, C. Dybowski, Fahri Alkan, 2021, Reference Module in Chemistry, Molecular Sciences and Chemical Engineering.

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

M. Kurmoo, Zhi Wang, C. Tung, 2022, Angewandte Chemie.

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

F. Alkan, 2023, Turkish journal of chemistry.

Dicarboxylic Acids Induced Tandem Transformation of Silver Nanocluster.

Zhi Wang, Xian-Qiang Huang, C. Tung, 2023, Journal of the American Chemical Society.

Analysis of the bond‐valence method for calculating 29Si and 31P magnetic shielding in covalent network solids

Cecil Dybowski, Karl T. Mueller, Sean T. Holmes, 2016, J. Comput. Chem..

Theoretical investigation of excited states of oligothiophene anions.

U. Salzner, F. Alkan, 2008, The journal of physical chemistry. A.