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List of works by Hakan Kayi

A computational study on 4,7-di(furan-2-yl)benzo[c][1,2,5]thiadiazole monomer and its oligomers

scientific article published on 01 June 2014

A theoretical investigation of the low energy conformers of the isomers glycine and methylcarbamic acid and their role in the interstellar medium

scientific article published on 17 June 2011

A theoretical investigation of the relative stability of hydrated glycine and methylcarbamic acid—from water clusters to interstellar ices

scientific article published on 01 March 2012

AM1* parameters for bromine and iodine

scientific article published on 05 December 2008

AM1* parameters for cobalt and nickel

scientific article published on 26 May 2009

AM1* parameters for gold

scientific article published on 13 November 2009

AM1* parameters for manganese and iron.

scientific article published on 24 November 2009

AM1* parameters for palladium and silver ⬇️

scientific article published on January 13, 2011

AM1* parameters for vanadium and chromium

scientific article published on 26 March 2009

Conformational behaviors of trans-2,3- and trans-2,5-dihalo-1,4-diselenanes. A complete basis set, hybrid-density functional theory study and natural bond orbital interpretations

scientific article published on 10 May 2014

Deviations from Born-Oppenheimer theory in structural chemistry: Jahn-Teller, pseudo Jahn-Teller, and hidden pseudo Jahn-Teller effects in C3H3 and C3H3(-).

scientific article published on 6 August 2013

Effect of chalcogen atoms on the electronic band gaps of donor-acceptor-donor type semiconducting polymers: a systematic DFT investigation

scientific article published on 21 May 2019

Natural bond orbital, nuclear magnetic resonance analysis and hybrid-density functional theory study of σ-aromaticity in Al2F6, Al2Cl6, Al2Br6 and Al2I6

scientific article published on 02 March 2013

Ni(II), Cu(II), and Zn(II) complexes of tetradentate schiff base containing two thiadiazoles units: Structural, spectroscopic, magnetic properties, and molecular modeling studies

Prediction of lower critical solution temperature of N-isopropylacrylamide-acrylic acid copolymer by an artificial neural network model.

scientific article published on 8 December 2004

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