| Year |
Citation |
Score |
| 2019 |
Alkan F, Pandeya P, Aikens CM. Understanding the Effect of Doping on Energetics and Electronic Structure for Au25, Ag25, and Au38Clusters The Journal of Physical Chemistry C. 123: 9516-9527. DOI: 10.1021/Acs.Jpcc.9B00065 |
0.338 |
|
| 2018 |
Alkan F, Dybowski C. Spin-orbit effects on the Te magnetic-shielding tensor: A cluster-based ZORA/DFT investigation. Solid State Nuclear Magnetic Resonance. 95: 6-11. PMID 30189330 DOI: 10.1016/J.Ssnmr.2018.08.005 |
0.702 |
|
| 2017 |
Alkan F, Holmes ST, Dybowski C. The Role of Exact Exchange and Relativistic Approximations in Calculating (19)F Magnetic Shielding in Solids Using a Cluster Ansatz. Journal of Chemical Theory and Computation. PMID 28930636 DOI: 10.1021/Acs.Jctc.7B00555 |
0.724 |
|
| 2016 |
Alkan F, Holmes ST, Iuliucci RJ, Mueller KT, Dybowski C. Spin-orbit effects on the (119)Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation. Physical Chemistry Chemical Physics : Pccp. PMID 27354312 DOI: 10.1039/C6Cp03807G |
0.727 |
|
| 2016 |
Holmes ST, Alkan F, Iuliucci RJ, Mueller KT, Dybowski C. Analysis of the bond-valence method for calculating (29) Si and (31) P magnetic shielding in covalent network solids. Journal of Computational Chemistry. PMID 27117609 DOI: 10.1002/Jcc.24389 |
0.719 |
|
| 2016 |
Alkan F, Dybowski C. Effect of Co-Ordination Chemistry and Oxidation State on the (207)Pb Magnetic-Shielding Tensor: A DFT/ZORA Investigation. The Journal of Physical Chemistry. A. 120: 161-8. PMID 26683366 DOI: 10.1021/Acs.Jpca.5B10991 |
0.67 |
|
| 2016 |
Alkan F, Small T, Bai S, Dominowski A, Dybowski C. Ion pairing in H2O and D2O solutions of lead nitrate, as determined with 207Pb NMR spectroscopy Journal of Structural Chemistry. 57: 369-375. DOI: 10.1134/S0022476616020189 |
0.542 |
|
| 2015 |
Alkan F, Dybowski C. Chemical-shift tensors of heavy nuclei in network solids: a DFT/ZORA investigation of (207)Pb chemical-shift tensors using the bond-valence method. Physical Chemistry Chemical Physics : Pccp. 17: 25014-26. PMID 26345261 DOI: 10.1039/C5Cp03348A |
0.706 |
|
| 2015 |
Alkan F, Dybowski C. Chemical-shift tensors of heavy nuclei in network solids: A DFT/ZORA investigation of 207Pb chemical-shift tensors using the bond-valence method Physical Chemistry Chemical Physics. 17: 25014-25026. DOI: 10.1039/c5cp03348a |
0.573 |
|
| 2014 |
Catalano J, Murphy A, Yao Y, Alkan F, Zumbulyadis N, Centeno SA, Dybowski C. 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. The Journal of Physical Chemistry. A. 118: 7952-8. PMID 25144651 DOI: 10.1021/Jp505908J |
0.659 |
|
| 2014 |
Alkan F, Dybowski C. 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. Physical Chemistry Chemical Physics : Pccp. 16: 14298-308. PMID 24916317 DOI: 10.1039/C4Cp01682C |
0.708 |
|
| 2014 |
Alkan F, Dybowski C. 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 Physical Chemistry Chemical Physics. 16: 14298-14308. DOI: 10.1039/c4cp01682c |
0.645 |
|
| 2013 |
Taylor RE, Alkan F, Koumoulis D, Lake MP, King D, Dybowski C, Bouchard LS. A combined NMR and DFT study of narrow gap semiconductors: The case of PbTe Journal of Physical Chemistry C. 117: 8959-8967. DOI: 10.1021/Jp3101877 |
0.619 |
|
| 2008 |
Alkan F, Salzner U. Theoretical investigation of excited states of oligothiophene anions. The Journal of Physical Chemistry. A. 112: 6053-8. PMID 18557602 DOI: 10.1021/Jp711135E |
0.309 |
|
| Show low-probability matches. |