| 1 |
Computational investigation and comparison of hydrogen storage properties of B24N24 and Al24N24 nanocages
Sayhan S, Kinal A
International Journal of Hydrogen Energy, 42(20), 14166, 2017 |
| 2 |
Accurate prediction of hydrogen storage capacity of small boron nitride nanocages by dispersion corrected semi-empirical PM6-DH2 method
Kinal A, Sayhan S
International Journal of Hydrogen Energy, 41(1), 392, 2016 |
| 3 |
Stereoelectronic effects on molecular geometries and state-energy splittings of ligated monocopper dioxygen complexes
Cramer CJ, Gour JR, Kinal A, Wtoch M, Piecuch P, Shahi ARM, Gagliardi L
Journal of Physical Chemistry A, 112(16), 3754, 2008 |
| 4 |
Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: A completely renormalized coupled-cluster study
Kinal A, Piecuch P
Journal of Physical Chemistry A, 111(4), 734, 2007 |
| 5 |
Theoretical characterization of end-on and side-on peroxide coordination in ligated Cu2O2 models (vol 110A, pg 11557, 2006)
Cramer CJ, Kinal A, Wloch M, Piecuch P, Gagliardi L
Journal of Physical Chemistry A, 111(22), 4871, 2007 |
| 6 |
Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals
Piecuch P, Wloch M, Gour JR, Kinal A
Chemical Physics Letters, 418(4-6), 467, 2006 |
| 7 |
Is the mechanism of the [2+2]cycloaddition of cyclopentyne to ethylene concerted or biradical? A completely renormalized coupled cluster study
Kinal A, Piecuch P
Journal of Physical Chemistry A, 110(2), 367, 2006 |
| 8 |
Theoretical characterization of end-on and side-on peroxide coordination in ligated Cu2O2 models
Cramer CJ, Kinal A, Wloch M, Piecuch P, Gagliardi L
Journal of Physical Chemistry A, 110(40), 11557, 2006 |
| 9 |
Isomerizations of bicyclo[2.1.0]pent-2-ene and tricyclo[2.1.0.0(2,5)]pentane into cyclopenta-1,3-diene: A computational study by DFT and high-level ab initio methods
Ozkan I, Kinal A, Balci M
Journal of Physical Chemistry A, 108(3), 507, 2004 |
| 10 |
Bromination of 1-cyclopent-1-en-1-ylbenzene and 1-(5-bromocyclopent-1-en-1-yl)benzene and theoretical investigation of the products
Ceylan M, Kinal A, Sutbeyaz YA, Balci M
Turkish Journal of Chemistry, 27(3), 287, 2003 |
