| AM1* parameters for copper and zinc H Kayi, T Clark Journal of Molecular Modeling 13, 965-979, 2007 | 46 | 2007 |
| Stimuli‐responsive properties of aminophenylboronic acid‐carrying thermosensitive copolymers E Uğuzdoğan, H Kayı, EB Denkbaş, S Patır, A Tuncel Polymer international 52 (5), 649-657, 2003 | 40 | 2003 |
| AM1* parameters for bromine and iodine H Kayi, T Clark Journal of molecular modeling 15, 295-308, 2009 | 32 | 2009 |
| A theoretical investigation of the relative stability of hydrated glycine and methylcarbamic acid—from water clusters to interstellar ices H Kayi, RI Kaiser, JD Head Physical Chemistry Chemical Physics 14 (14), 4942-4958, 2012 | 28 | 2012 |
| Ni (II), Cu (II), and Zn (II) complexes of tetradentate schiff base containing two thiadiazoles units: Structural, spectroscopic, magnetic properties, and molecular modeling … K Serbest, H Kayi, M Er, K Sancak, İ Değirmencioğlu Heteroatom Chemistry: An International Journal of Main Group Elements 19 (7 …, 2008 | 25 | 2008 |
| Pseudo Jahn–Teller origin of bending instability of triatomic molecules H Kayi, IB Bersuker, JE Boggs Journal of molecular structure 1023, 108-114, 2012 | 24 | 2012 |
| A computational study on the structures of methylamine–carbon dioxide–water clusters: evidence for the barrier free formation of the methylcarbamic acid zwitterion (CH 3 NH 2+ … H Kayi, RI Kaiser, JD Head Physical Chemistry Chemical Physics 13 (23), 11083-11098, 2011 | 24 | 2011 |
| AM1* parameters for vanadium and chromium H Kayi, T Clark Journal of molecular modeling 15, 1253-1269, 2009 | 23 | 2009 |
| Kinetics of CO2 capture by carbon dioxide binding organic liquids: Experimental and molecular modelling studies OY Orhan, H Tankal, H Kayi, E Alper International Journal of Greenhouse Gas Control 49, 379-386, 2016 | 22 | 2016 |
| A theoretical investigation of the low energy conformers of the isomers glycine and methylcarbamic acid and their role in the interstellar medium H Kayi, RI Kaiser, JD Head Physical Chemistry Chemical Physics 13 (35), 15774-15784, 2011 | 22 | 2011 |
| AM1* parameters for cobalt and nickel H Kayi, T Clark Journal of molecular modeling 16, 29-47, 2010 | 22 | 2010 |
| AM1* parameters for cobalt and nickel H Kayi, T Clark Journal of molecular modeling 16, 29-47, 2010 | 22 | 2010 |
| AM1* parameters for manganese and iron H Kayi, T Clark Journal of molecular modeling 16, 1109-1126, 2010 | 21 | 2010 |
| AM1* parameters for manganese and iron H Kayi, T Clark Journal of molecular modeling 16, 1109-1126, 2010 | 21 | 2010 |
| Deviations from Born–Oppenheimer theory in structural chemistry: Jahn–Teller, pseudo Jahn–Teller, and hidden pseudo Jahn–Teller effects in C3H3 and C3H3– H Kayi, P Garcia-Fernandez, IB Bersuker, JE Boggs The Journal of Physical Chemistry A 117 (36), 8671-8679, 2013 | 20 | 2013 |
| A computational study on 4, 7-di (furan-2-yl) benzo [c][1, 2, 5] thiadiazole monomer and its oligomers H Kayi Journal of molecular modeling 20, 1-7, 2014 | 15 | 2014 |
| Prediction of lower critical solution temperature of N-isopropylacrylamide–acrylic acid copolymer by an artificial neural network model H Kayı, SA Tuncel, A Elkamel, E Alper Journal of molecular modeling 11, 55-60, 2005 | 15 | 2005 |
| AM1* parameters for palladium and silver H Kayi, T Clark Journal of molecular modeling 17, 2585-2600, 2011 | 13 | 2011 |
| Prediction of chemical oxygen demand from the chemical composition of wastewater by artificial neural networks BA Saleh, H Kayi Journal of Physics: Conference Series 1818 (1), 012035, 2021 | 12 | 2021 |
| A theoretical investigation of 4, 7-di (furan-2-yl) benzo [c][1, 2, 5] selenadiazole-based donor–acceptor type conjugated polymer H Kayi, A Elkamel Computational and Theoretical Chemistry 1054, 38-45, 2015 | 10 | 2015 |
Bersuker I. B.Professor, University of Texas at AustinVerified email at cm.utexas.edu
