| Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals P Piecuch, M Włoch, JR Gour, A Kinal Chemical physics letters 418 (4-6), 467-474, 2006 | 213 | 2006 |
| Theoretical Characterization of End-On and Side-On Peroxide Coordination in Ligated Cu2O2 Models CJ Cramer, A Kinal, M Włoch, P Piecuch, L Gagliardi The Journal of Physical Chemistry A 110 (40), 11557-11568, 2006 | 94 | 2006 |
| 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 A Kinal, P Piecuch The Journal of Physical Chemistry A 111 (4), 734-742, 2007 | 68 | 2007 |
| Stereoelectronic effects on molecular geometries and state-energy splittings of ligated monocopper dioxygen complexes CJ Cramer, JR Gour, A Kinal, M Włoch, P Piecuch, AR Moughal Shahi, ... The Journal of Physical Chemistry A 112 (16), 3754-3767, 2008 | 67 | 2008 |
| Is the mechanism of the [2+ 2] cycloaddition of cyclopentyne to ethylene concerted or biradical? A completely renormalized coupled cluster study A Kınal, P Piecuch The Journal of Physical Chemistry A 110 (2), 367-378, 2006 | 47 | 2006 |
| Isomerizations of Bicyclo[2.1.0]pent-2-ene and Tricyclo[2.1.0.02,5]pentane into Cyclopenta-1,3-diene: A Computational Study by DFT and High-Level ab Initio … İ Özkan, A Kinal, M Balci The Journal of Physical Chemistry A 108 (3), 507-514, 2004 | 41 | 2004 |
| Competing pathways in the [2+ 2] cycloadditions of cyclopentyne and benzyne. A DFT and ab initio study I Ozkan, A Kinal The Journal of Organic Chemistry 69 (16), 5390-5394, 2004 | 27 | 2004 |
| A comparison of single-reference coupled-cluster and multi-reference configuration interaction methods for representative cuts of the H2S (1A′) potential energy surface YZ Song, A Kinal, P Caridade, AJC Varandas, P Piecuch Journal of Molecular Structure: THEOCHEM 859 (1-3), 22-29, 2008 | 18 | 2008 |
| A DFT and TD-DFT study on intermolecular charge transfer complexes of pyrene with phenothiazine and promazine A Kınal, N Acar Journal of Molecular Structure: THEOCHEM 949 (1-3), 36-40, 2010 | 14 | 2010 |
| Sterically hindered N-aryl/benzyl substituted piperidoimidazolin-2-ylidene palladium complexes and their catalytic activities E Gacal, S Denizaltı, A Kınal, AG Gökçe, H Türkmen Tetrahedron 74 (47), 6829-6838, 2018 | 12 | 2018 |
| Accurate prediction of hydrogen storage capacity of small boron nitride nanocages by dispersion corrected semi-empirical PM6-DH2 method A Kinal, S Sayhan International journal of hydrogen energy 41 (1), 392-400, 2016 | 12 | 2016 |
| C–C coupling formation using nitron complexes M Sevim, SB Kavukcu, A Kınal, O Şahin, H Türkmen Dalton Transactions 49 (46), 16903-16915, 2020 | 10 | 2020 |
| Computational investigation and comparison of hydrogen storage properties of B24N24 and Al24N24 nanocages S Sayhan, A Kinal International Journal of Hydrogen Energy 42 (20), 14166-14180, 2017 | 9 | 2017 |
| Computational determination of ring opening polymerization reaction mechanism of α-angelica lactone S Gümüştaş, M Balcan, A Kınal Computational and Theoretical Chemistry 1142, 1-8, 2018 | 8 | 2018 |
| Stability of endohedral hydrogen doped boron nitride nanocages: a density functional theory study S Sayhan, A Kinal Asian Journal of Chemistry 26 (18), 5935, 2014 | 5 | 2014 |
| Synthesis, spectroscopic characterization and structural investigation of new charge-transfer complexes of piroxicam with 2, 3-dichloro-5, 6-dicyano-1, 4-benzoquinone and … A Kinal, M Güreşci, H AIRrabiah, HA Abdel-Aziz, GAE Mostafa Materials Express 9 (3), 203-212, 2019 | 4 | 2019 |
| A DFT and TDDFT investigation of interactions between pyrene and amino acids with cyclic side chains N Acar, A Kınal, N Yener, A Yavaş, P Güloğlu Computational and Theoretical Chemistry 1081, 49-61, 2016 | 4 | 2016 |
| M. W loch, P. Piecuch, and L. Gagliardi. Theoretical characterization of end-on and side-on peroxide coordination in ligated Cu2O2 models CJ Cramer, A Kinal J. Phys. Chem. A 110, 11557-11568, 2006 | 4 | 2006 |
| Chem. Phys. Lett. P Piecuch, M Wloch, JR Gour, A Kinal | 4 | 2006 |
| Computational investigation of hydrogen storage capacity of boron nitride nanocages by newly developed PM7 method S Sayhan, A Kinal Asian Journal of Chemistry 27 (2), 667, 2015 | 3 | 2015 |
Piotr PiecuchUniversity Distinguished Professor and MSU Research Foundation Professor, Michigan State UniversityVerified email at chemistry.msu.edu
