Works on structural aspects of various molecules, complexes and hydrogen bonding directed ordering in the liquid phase and in the solid state


Structure of individual molecules, complexes and conformational analysis


(1) Bogár, F., Tasi, Gy., Pálinkó, I., Török, B.:

Full geometric optimization of a-phenylcinnamic acid isomers,

IBM Academic Initiative Hungary, Project Report 1991-93 Eds. Csépai, J., Quittner, P.), p. 68, AULA Ltd., Budapest, 1993.


(2) Pálinkó, I., Tasi, Gy., Bogár, F., Török, B.:

Molecular modelling: Structure and potential energy surfaces of E- and Z-a-phenylcinnamic acids by force field and quantum chemical methods,

QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications (Eds. Sanz, F., Giraldo, J., Manut, F.) p. 301, Prous Science Publishers, Barcelona, 1995.


(3) Tasi, Gy., Mizukami, F., Pálinkó, I., Csontos, J., Gyrffy, W., Nair, P., Maeda, K., Toba, M., Niwa, S.-I., Kiyozumi, Y., Kiricsi, I.:

Enumeration of the conformers of unbranched aliphatic alkanes,

J. Phys. Chem., A 102, 7698 (1998).


(4) Körtvélyesi, T., Lovas, S., Murphy, R.F., Kiss, G., Pálinkó, I.:

Structure and E-Z isomerization of a-phenycinnamic acids studied by ab initio and semiempirical methods,

Internet Journal of Chemistry 2, 2 (1999) (http://www.ijc.com/articles/1999v2/2/).


(5) Tasi, Gy., Mizukami, F., Csontos, J., Gyrffy, W., Pálinkó, I.:

Quantum algebraic-combinatoric study of the conformational properties of n-alkanes,. II,

J. Math. Chem. 27, 191 (2000).


(6) Pálinkó, I.:

Conformations of stereoisomer furyl- and/or phenyl-substituted propenoic acid methyl esters - a computational study,

J. Mol. Struct. THEOCHEM 715, 143 (2005).


(7) Forgo, P., Felföldi, K., Pálinkó, I.:

Conformations of E-2-phenyl-3(2'-furyl)propenoic acid and its methyl ester in various solvents - an NMR study,

J. Mol. Struct. 744-747, 273 (2005).


(8) Pálinkó I.:

Conformations of 2-phenyl-3-pyridylpropenoic acid (a-phenyl pyridylcinnamic acid) dimers - a computational study,

Int. Elect. J. Mol. Des. 4, (2005).


(9) Pálinkó, I., Forgo, P.:

Unexpected nonplanar quinoidal substructure in an abietane terpene from Salvia candelabrum - an ab initio computational search for the simplest substitution pattern causing the nonplanarity,

J. Mol. Struct. THEOCHEM 717, 153 (2005).


(10) Ledneczki, I., Forgo, P., Kiss, J.T., Molnár, Á., Pálinkó, I.:

Conformational behaviour of acetamide derivatives studied by NMR spectroscopic and computational methods,

J. Mol. Struct. 834-836, 349 (2007).


(11) Pallagi, A., Sebk, P., Pálinkó, I., Sipos, P.:

The equilibrium chemistry of the gluconate/Ca2+ system in aqueous solution,

Chemistry Lectures, Program and Proceedings, 2009, pp. 169-173. (in Hungarian)


(12) Pallagi, A., Sebk, P., Forgo, P., Jakusch, T., Pálinkó, I., Sipos, P.:

Multinuclear NMR and molecular modelling investigations on the structure and equilibria of complexes forming in aqueous solutions of calcium and gluconate,

Carbohyd. Res. 345, 1860 (2010).


(13) Ötvös, S.B., Berkesi,O., Körtvélyesi, Pálinkó, I.:

Synthesis, spectroscopic and computational characterization of Zn4O(alicyclic or aromatic carboxylate)6 complexes as potential MOF precursors,

Inorg. Chem. 49, 4620 (2010).


(14) Szabó-Plánka, T., Gyurcsik, B., Pálinkó, I., Nagy, N.V., Rockenbauer, A., Sipos, R., Sima, J., Melnik, M.:

Effect of fluorine position on the coordinating ability of fluorosalicylic acids - an experimental study complemented with computations,

J. Inorg. Biochem. 105, 75 (2011).


(15) Pallagi, A., Dudás, Cs., Csendes, Z., Forgo, P., Pálinkó, I., Sipos, P.:

Structure and equilibria of Ca2+ complexes of glucose and sorbitol from multinuclear (1H, 13C and 43Ca) NMR measurements supplemented with molecular modelling calculations,

J. Mol. Struct. 993, 336 (2011).


(16) Szabó-Plánka, T., Gyurcsik, B., Pálinkó, I., Nagy, N.V., Rockenbauer, A., Valigura, D., Sipos, R., Sima, J., Melník, M.:

Complexation of fluorosalicylic acids with copper(II),

New Trends in Coordination, Bioinorganic and Applied Inorganic Chemistry, (Melník, M., Segla, P., Tatarko, M.), ISBN 978-80-227-3509-4, Press of Slovak University of Technology, Bratislava, 2011, pp. 373-387.


(17) Sipos, P., Megyes, T., Pálinkó, I.:

The structure of gallium in strongly alkaline solutions from X-ray diffraction measurements,

New Trends in Coordination, Bioinorganic and Applied Inorganic Chemistry, (Melník, M., Segla, P., Tatarko, M.), ISBN 978-80-227-3509-4, Press of Slovak University of Technology, Bratislava, 2011, pp. 504-509.


(18) Pallagi, A., Csendes, Z., Forgo, P., Sipos, P., Pálinkó, I.:

Structural features of some Ca(II)-sugar complexes studied by NMR spectroscopy and computation,

New Trends in Coordination, Bioinorganic and Applied Inorganic Chemistry, (Melník, M., Segla, P., Tatarko, M.), ISBN 978-80-227-3509-4, Press of Slovak University of Technology, Bratislava, 2011, pp. 442-451.


(19) Gácsi, A., Pallagi, A., Tasi, Á.G., Peintler, G., Pálinkó, I., Sipos, P.:

The solubility of calcium hydroxide in basic and extremely basic solutions at 25 s 50 C,

Chemistry Lectures, Program and Proceedings, ISBN 978-96-331-5062-7, pp. 126-129 (2011). (in Hungarian)


(20) Bajnóczi, É.G., Molnár, G.B., Peintler, G. Canton, S.E., Carlson, S., Pálinkó, I., Sipos, P.:

Structure features of Fe(II) hydroxo complexes in extremely concentrated alkaline solutions an EXAFS/XANES study,

MAX-LAB Activity Report 2012 (Johansson, U., Nyberg, A., Nyholm, R., eds.), 2012, I811_1.


(21) Czeglédi, E., Lipták, D., Peintler, G., Pálinkó, I., Sipos, P.:

The stability constans of calcium sugar-type complexes studied with calcium-selective electrod,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-099-3, pp. 267-271 (2012). (in Hungarian)


(22) Kutus, B., Peintler, G., Pálinkó, I., Sipos, P.:

The compositions and equilibria of calcium heptagluconate complexes in hyperalkaline solutions,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-099-3, pp. 275-279 (2012). (in Hungarian)


(23) Tasi, Á.G., Pallagi, A., Sipos, P., Peintler, G., Pálinkó, I.:

Studying the structural features of Al(III)-gluconate in Bayer-type solutions,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-099-3, pp. 282-286 (2012). (in Hungarian)


(24) Csankó, K., Forgo, P., Boros, K., Hohmann, J., Sipos, P., Pálinkó, I.:

Conformational properties of a pyridyl-substituted cinnamic acid studied by NMR measurements and computations,

J. Mol. Struct. 1044, 286 (2013).


(25) Pallagi, A., Csendes, Z., Kutus, B., Czeglédi, E., Peintler, G., Forgo, P., Pálinkó, I., Sipos, P.:

Multinuclear complex formation in aqueous solution of Ca(II) and heptagluconate ions,

Dalton Trans. 42, 8460 (2013).


(26) Gácsi, A., Pallagi, A., Bajnóczi, É.G., Pálinkó, I., Peintler, G., Sipos, P.:

The speciation of Ca(II) and the formation of CaOH+(aq) in strongly alkaline aqueous solutions,

Recent Developments in Coordination, Bioinorganic and Applied Inorganic Chemistry, (Melnk, M., Segla, P., Tatarko, M.), ISBN 978-80-227-3918-4, Press of Slovak University of Technology, Bratislava, 2013, pp. 58-62.


(27) Bajnóczi, É.G., Pálinkó, I., Peintler, G., Kuzmann, E., Homonnay, Z., Sipos, P.:

The formation of Fe(II)-hydroxo complexes under hyperalkaline conditions,

Recent Developments in Coordination, Bioinorganic and Applied Inorganic Chemistry, (Melnk, M., Segla, P., Tatarko, M.), ISBN 978-80-227-3918-4, Press of Slovak University of Technology, Bratislava, 2013, pp. 434-440.


(28) Czeglédi, E., Bajnóczi, É.G., Gyulai, O., Pálinkó, I., Peintler, G., Kuzmann, E., Sipos, P.:

The structure and hydrolytic equilibria of Sn(II) in strongly alkaline aqueous solutions,

Recent Developments in Coordination, Bioinorganic and Applied Inorganic Chemistry, (Melnk, M., Segla, P., Tatarko, M.), ISBN 978-80-227-3918-4, Press of Slovak University of Technology, Bratislava, 2013, pp. 14-19.


(29) Pallagi, A., Tasi, ÁG., Peintler, G., Forgo, P., Pálinkó, I., Sipos, P.:

The complex forming between the Al(III) and gluconate in alkaline solutions,

Dalton Trans. 42, 13470 (2013).


(30) Gácsi, A., Cseh, A., Pallagi, A., Peintler, G., Pálinkó, I., Sipos, P.:

Characterisation of the solid phases formed in systems containing calcium and aluminate,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-145-7, pp. 101-103 (2013). (in Hungarian)


(31) Valkai, L., Peintler, G., Pálinkó, I. Sipos, P.:

Effects of protonation side-reactions on the propagation of chemical waves,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-145-7, pp. 187-191 (2013). (in Hungarian)


(32) Kutus, B., Pallagi, A., Peintler, G., Pálinkó, I., Sipos, P.:

Equilibrium characterisation Ca-gluconate complexes in high pH solutions,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-145-7, pp. 235-239 (2013). (in Hungarian)


(33) Czeglédi, E., Bajnóczi, É.G., Peintler, G., Berkesi, O., Kuzmann, E., P´linkó, I., Sipos, P.:

Tin-hydroxo complexes in concentrated aqueous solutions,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-145-7, pp. 227-230 (2013). (in Hungarian)


(34) Tasi, Á.G., Tasi, G., Pálinkó, I., Sipos, P.:

Structure and stability of the dimer of the tetrahydroxo aluminate ion,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-145-7, pp. 241-245 (2013). (in Hungarian)


(35) Bajnóczi, É., Peintler, G., Sipos, P., Pálinkó I.:

On the stabilty of Cr(III) under basic conditions,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-315-145-7, pp. 371-373 (2013). (in Hungarian)


(36) Radnai, T., Bálint, Sz., Bakó, I., Megyes, T., Grósz, T., Pallagi, A., Peintler, G., Pálinkó, I., Sipos, P.:

The structure of hyperalkaline aqueous solutions containing high concentrations of Gallium - a solution X-ray diffraction and computational study,

PCCP 16, 4023 (2014).


(37) Bajnóczi, É.G., Peintler, G., Carlson, S., Pálinkó, I., Sipos, P.:

Local structure of Cr(III) in strongly alkaline aqueous solutions studied with XAS and UV-Visible spectroscopy,

MAX-LAB Activity Report 2013 (Johansson, U., Nyberg, A., Nyholm, R., eds.), 2014, I811_1.


(38) Pallagi, A., Bajnóczi, É.G., Canton, S.E., Bolin, T.B., Peintler, G., Kutus, B., Kele, Z., Pálinkó, I., Sipos, P.:

Multinuclear complex formation between Ca(II) and gluconate ions in hyperalkaline solutions relevant to radioactive waste disposal,

Environ. Sci. Technol. 48, 6604 (2014).


(39) Bajnóczi, É.G., Bohner, B., Czeglédi, E., Kuzmann, E., Homonnay, Z., Lengyel, A., Pálinkó, I., Sipos, P.:

On the lack of capillary Mössbauer spectroscopic effect for Sn(II)-containing aqueous solutions trapped in corning Vycor thirsty glass,

J. Radioanal. Nucl. Chem. 302, 695 (2014).


(40) Bajnóczi, É.G., Pálinkó, I., Körtvélyesi, T., Bálint, Sz., Bakó, I., Sipos, P., Persson, I.:

The structure of Pb(II) ion in hyper-alkaline aqueous solution,

Dalton Trans. 43, 17539 (2014).


(41) Bajnóczi, É.G., Czeglédi, E., Kuzmann, E., Homonnay, Z., Bálint, Sz., Dombi, G., Forgo, P., Berkesi, O., Pálinkó, I., Peintler, G., Sipos, P., Persson, I.:

Speciation and structure of tin(II) in hyper-alkaline aqueous solution,

Dalton Trans. 43, 17971 (2014).


(42) Bruszel, B., Gácsi, A., Suba, N., Csendes, Z., Pálinkó, I., Sipos, P.:

Structural investigation of Ca(II)-hydroxycarboxylic acid complexes by NMR spectroscopy,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-9970-53-3, pp. 48-52 (2014). (in Hungarian)


(43) Gyulai, O., Bajnóczi, É., Sipos, P., Pálinkó, I.:

The behaviour of Sn(II) and Pb(II) ion sin strongly alkaline solutions,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-9970-53-3, pp. 53-57 (2014). (in Hungarian)


(44) Rédei, D., Boros, K., Forgo, P., Molnár, J., Kele, Z., Pálinkó, I., Pinke, Gy., Hohmann, J.:

Diterpene constituents of Euphorbia exigua L. and multidrug resistance reversing activity of the isolated diterpenes,

Chem. Biodiv. 12, 1214 (2015).


(45) Dudás, Cs., Kutus, B., Böszörményi, É., Medvegy, P., Orbán, O., Pálinkó, I., Sipos, P.:

The syntheis and chracterisation of calcium and sodium isosaccharinate,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-9970-64-9, pp. 42-47 (2015). (in Hungarian)


(46) Buckó, Á., Kutus, B., Peintler, G., Pálinkó, I., Sipos, P.:

Investigating the lactonisation of the L-gulonate ion,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-9970-64-9, pp. 179-184 (2015). (in Hungarian)


(47) Lengyel, A., Klencsár, Z., Homonnay, Z., Sipos, P., Bajnóczi, É.G., Pálinkó, I., Kuzmann, E.:

Goldanskii-Karyagin effect on hyperalkaline tin(II)-hydroxide,

J. Radioanal. Nucl. Chem. 307, 1195 (2016).


(48) Gácsi, A., Kutus, B., Buckó, Á., Csendes, Z., Peintler, G., Pálinkó, I., Sipos, P.:

The structure of calcium citrate complex forming in hyperalkaline aqueous solution,

J. Mol. Struct. 1118, 110 (2016).


(49) Kutus, B., Gácsi, A., Pallagi, A., Pálinkó, I., Peintler, G., Sipos, P.:

A comprehensive study on the dominant formation of the dissolved Ca(OH)2(aq) in strongly alkaline solutions saturated by Ca(II),

RSC Advances 6, 4521 (2016).


(50) Bajnóczi, É.G., Pálinkó, I., Körtélyesi, T., Bálint, Sz., Bakó, I., Sipos, P., Persson, I.:

Structure of lead(II) ion in hyperalkaline aqueous solution,

MAX IV Lab Activity Report 2014-15 (Johansson, U., Nyberg, A., Nyholm, R., eds.), 2016, I811_1.


(51) Böszörményi, É., Dudás, Cs., Kutus, B., Pálinkó, I., Sipos, P.:

Comparison of the acid-base properties and the calcium complexing abiliy of the isosaccharinate and the the L-gulonate ions,

Chemistry Lectures, Program and Proceedings, ISBN 978-963-9970-73-1, pp. 60-64 (2016). (in Hungarian)


(52) Gácsi, A., Kutus, B., Csendes, Z., Faragó, T., Peintler, G., Pálinkó, I., Sipos, P.:

Calcium L-tartrate complexes forming in neutral and in hyperalkaline aqueous solutions,

Dalton Trans. 45, 17296 (2016).


(53) Kutus, B., Buckó, Á., Peintler, G., Pálinkó, I., Sipos, P.:

Calcium complexation and acid-base properties of L-gulonic acid, a diastereomer of D-gluconic acid,

Dalton Trans. 45, 18281 (2016).


(54) Truong Ngoc Hung, Ádám, A. Varga, G., Dudás, Cs., Kele, Z., Sipos, P., Pálinkó, I.:

Thionation of a cyanoxime derivative to form the sulphur-containing derivative, a novel ligand for complexation with transitional metal ions,

Struct. Chem. 28, 475 (2017).


(55) Kutus, B., Ozsvár, D., Varga, N., Pálinkó, I., P. Sipos:

ML and ML2 complexes forming between Ca(II) and D-glucose derivatives in aqueous solutions,

Dalton Trans. 46, 1065 (2017).


(56) Kutus, B., Varga, N., Peintler, G., Lupan, A., Attia, A.A.A., Pálinkó, I., P. Sipos:

Formation of mono- and binuclear neodymium(III)-gluconate complexes in aqueous solutions in the pH range of 28,

Dalton Trans. 46, 6049 (2017).


(57) Buckó, Á., Kutus, B., Peintler, G., Pálinkó, I., Sipos, P.:

Temperature dependence of proton dissociation and complexation processes in the Ca2+/gluconate system under hyperalkaline conditions,

Recent Developments in Coordination, Bioinorganic and Applied Inorganic Chemistry, (Segla, P., Tatarko, M.), ISBN 978-80-89597-65-9, Press of Slovak University of Technology, Bratislava, 2017, pp. 27-36.


(58) Dudás, Cs., Kutus, B., Bélteki, R., Gácsi, A., Pálinkó, I., Sipos, P.:

Acid-base properties and calcium complexation of a-ketoglutarate in strongly alkaline aqueous solutions,

Recent Developments in Coordination, Bioinorganic and Applied Inorganic Chemistry, (Segla, P., Tatarko, M.), ISBN 978-80-89597-65-9, Press of Slovak University of Technology, Bratislava, 2017, pp. 37-44.


(59) Dudás, C., Kutus, B., Böszörményi, É., Peintler, G., Kele, Z., Pálinkó, I., Sipos, P.:

Comparison of the Ca2+ complexing properties of isosaccharinate and gluconate is gluconate a reliable structural and functional model of isosaccharinate?

Dalton Trans. 46, 13888 (2017).


(60) Kutus, B., Dudás, C., Peintler, G., Pálinkó, I., Sipos, P.:

Configuration-dependent complex formation between Ca(II) and sugar-carboxylate ligands in alkaline medium: comparison of L-gulonate with D-gluconate and D-heptaguconate,

Carbohydrate Res. 460, 34 (2018).


(61) Kutus, B., Peintler,G., Buckó, Á., Balla, Zs., Lupan, A., Attia, A.A.A., Pálinkó, I., Sipos, P.:

The acidity and self-catalyzed lactonization of L-gulonic acid: thermodynamic, kinetic and computational study and comparison with D-gluconic acid,

Carbohydrate Res. 467, 14 (2018).


(62) Dudás, C., Kutus, B., Peintler, G., Pálinkó, I., Sipos, P.:

The formation of Ca(II) enolato complexes with α- and β-ketoglutarate in strongly alkaline solutions,

Polyhedron 156, 89 (2018).


(63) Buckó, Á., Kutus, B., Peintler, G., Pálinkó, I., Sipos, P.:

Temperature dependence of the acid-base and Ca2+-complexation equilibria of D-gluconate in hyperalkaline aqueous solutions,

Polyhedron 158, 117 (2019).


(64) Kutus, B., Dudás, Cs., Orbón, E., Lupan, A., Attia, A.A.A., Pálinkó, I., Sipos, P., Peintler, G.:

Magnesium(II) D-gluconate complexes relevant to radioactive waste disposals: metal ion-induced ligand deprotonation or ligand-promoted metal ion hydrolysis?

Inorg. Chem. 58, 6832 (2019).


(65) Kutus, B., Gaona, X., Pallagi, A., Pálinkó, I., Altmaier, M., Sipos, P.:

Recent advances in the aqueous chemistry of the calcium-gluconate system equilibria, structure and composition of the complexes forming in neutral and in alkaline solutions,

Coord. Chem. Rev. 417, 213337:121 (2020).


(66) Böszörményi, É., Lado, J., Dudás, Cs., Kutus, B., Szabados, M., Varga, G., Pálinkó, I., Sipos, P.:

The structure and composition of solid complexes comprising of Nd(III), Ca(II) and D-gluconate, isolated from solutions relevant to radioactive waste disposal,

Pure Appl. Chem. 92, 1709 (2020).


(67) Buckó, Á., Kutus, B., Peintler, G., Kele, Z., Pálinkó, I., Sipos, P.:

Stability and structural aspects of complexes forming between aluminum(III) and D-heptagluconate in acidic to strongly alkaline media: an unexpected diversity,

J. Mol. Liq. 314, 113645:19 (2020).


(68) Ziegenheim, Sz., Peintler, G., Pálinkó, I., Sipos, P.:

The kinetics of the precipitation of gypsum, CaSO4.2H2O, over a wide range of reactant concentrations,

React. Kinet. Mech. Catal. 131, 75 (2020).


(69) Buckó, Á., Kása, Zs., Szabados, M., Kutus, B., Berkesi, O., Kónya, Z., Kukovecz, Á., Sipos, P., Pálinkó, I.:

The structure and thermal properties of solid ternary compounds forming with Ca2+, Al3+ and heptagluconate ions,

Molecules 25, 4715:114 (2020).


(70) Ziegenheim, Sz., Szabados, M., Kónya, Z., Kukovecz, Á., Pálinkó, I., Sipos, P.:

Differential precipitation of Mg(OH)2 from CaSO42H2O a promising concept for reagent recovery from MgSO4 waste streams,

Molecules (in press, 2020).


(71) Kutus, B., Dudás, Cs., Friesen, S., Peintler, G., Pálinkó, I., Sipos, P., Buchner, R.:

Equilibria and dynamics of sodium citrate aqueous aolutions: The hydration of citrate and formation of the Na3Cit0 ion aggregate,

J. Phys. Chem. B (in press, 2020).


Chemistry of hydrogen bonding and self-assembling


Cinnamic acid derivatives


(1) Pálinkó, I., Török, B., Rózsa-Tarjányi, M., Kiss, J.T., Tasi, Gy.:

Hydrogen bonding interactions of α-phenylcinnamic acid isomers in the liquid phase studied by IR and NMR spectroscopies and computational methods,

J. Mol. Struct. 348, 57 (1995).


(2) Pálinkó, I., Kiss, J.T.:

Local and long-range ordering of α-phenylcinnamic acid stereoisomers - a mid and far FT-IR spectroscopic investigation,

Mikrochim. Acta [Suppl.] 14, 701 (1997).


(3) Kukovecz, Á, Kiss, J.T., Pálinkó, I.:

Multimerization of Z-α-phenylcinnamic acid in solution: analysis via deconvoluted FT-IR spectra,

J. Mol. Struct. 408/409, 325 (1997).


(4) Pálinkó, I., Katona, T., Trowbridge, L.:

Polymorphic transitions in crystalline E- and Z-α-phenylcinnamic acids followed by differential scanning calorimetry,

J. Therm. Anal. 53, 317 (1998).


(5) Pálinkó, I.:

H-bonding interactions in the crystalline phase structures of cinnamic acid derivatives,

Acta Cryst. B 55, 216 (1999).


(6) Kiss, J.T., Felföldi, K., Körtvélyesi, T., Pálinkó, I.:

Hydrogen bonding interactions in α-substituted cinnamic acid ester derivatives studied by FT-IR spectoscopy and calculations,

Vib. Spect. 22, 63 (2000).


(7) Körtvélyesi, T., Pálinkó, I.: Modeling hydrogen bonding interactions in α-substituted cinnamic acid ester derivatives by semiempirical quantum chemical calculations,

J. Mol. Struct. THEOCHEM 531, 99 (2000).


(8) Körtvélyesi, T., Kukovecz, Á., Lovas, S., Pálinkó, I.:

Intramolecular hydrogen bonding in α-phenylcinnamic acids and their heteroatom-containing derivatives studied by ab initio quantum chemical methods,

J. Mol. Struct. THEOCHEM 535, 139 (2001).


(9) Kiss, J.T., Felföldi, K., Hannus, I., Pálinkó, I.:

Hydrogen bonded networks of methoxy-substituted α-phenylcinnamic acids studied by spectroscopic and computational methods,

J. Mol. Struct. 565/566, 463 (2001).


(10) Pálinkó, I., Körtvélyesi, T.:

Structural motifs in α-pyridyl- and α-furylcinnamic acid assemblies - A molecular modeling study,

Int. J. Quantum Chem. 84, 269 (2001).


(11) Jójárt, B., Pálinkó, I.:

Hydrogen bonding networks in E- or Z-2-(3'-pyridyl)-3-phenylpropenoic (α-pyridyl-cinnamic) acid assemblies - A molecular modeling study,

J. Mol. Model. 7, 408 (2001).


(12) Talabér, E., Paksi, Z., Pálinkó, I.:

Intermolecular hydrogen bonding interactions between α-phenyl furylcinnamic acid stereoisomers studied by semiempirical quantum chemical method,

J. Mol. Struct. THEOCHEM 620, 37 (2003).


(13) Balogh, Zs., Pálinkó, I.:

Building dendrimer-like structures from α-phenyl pyrimidylcinnamic acid - a molecular modeling approach,

J. Mol. Struct. THEOCHEM 623, 11 (2003).


(14) Kiss, J.T., Felföldi, K., Paksi, Z., Pálinkó, I.:

Structure-forming properties of 3-furylpropenoic acid derivatives in solution and in the solid state,

J. Mol. Struct. 651-653, 253 (2003).


(15) Csehi, J., Pálinkó, I.:

Hydrogen bonding interactions in E- or Z-2-phenyl-3-(X'-pyridyl)propenoic acid (X = 2, 3 or 4) assemblies - A molecular modeling study,

J. Mol. Model. 10, 151 (2004).


(16) Kiss, J.T., Felföldi, K., Pálinkó, I.:

Changes in the aggregation patterns of Z-2,3-diphenylpropenoic acid and its methyl ester on substituting the olefinic hydrogen with CF3 group - an FT-IR study,

J. Mol. Struct. 744-747, 207 (2005).


(17) Tolnai, B., Kiss, J.T., Felföldi, K., Pálinkó, I.:

C-H...F hydrogen bonds as the organising force in F-substituted a-phenyl cinnamic acid aggregates studied by the combination of FTIR spectroscopy and computations,

J. Mol. Struct. 924-926, 27 (2009).


(18) Pálinkó I.:

Network organising hydrogen bonding interactions in acrylic acid derivatives substituted by aromatic carbocycles and/or heteroaromatic groups,

Trends in Organic Chemistry 13, 17 (2009).


(19) Csankó, K., Illé, L., Felföldi, K., Kiss, J.T., Sipos, P., Pálinkó, I.:

C-H...S hydrogen bonds as the organizing force in 2,3-thienyl- and phenyl- or 2,3-dithienyl-substituted propenoic acid aggregates studied by the combination of FT-IR spectroscopy and computations,

J. Mol. Struct. 993, 259 (2011).


(20) Csankó, K., Darányi, M., Kozma, G., Kukovecz, Á., Kónya, Z., Sipos, P. Pálinkó, I.:

Self-assembling of Z-α-pyridylcinnamic acid dimers over polycrystalline Ag and Au surfaces followed by FT-IR and atomic force microscopies,

J. Mol. Struct. 993, 67 (2011).


(21) Csankó, K., Kozma, G., Kukovecz, Á., Kónya, Z., Sipos, P., Pálinkó, I.:

Self-assembling of S-containing cinnamic acid analogues over gold and silver surfaces,

Chemistry Lectures, Program and Proceedings, ISBN 978-96-331-5062-7, pp. 190-194 (2011).


(22) Csankó, K., Kozma, G., Valkai, L., Kukovecz, Á., Kónya, Z., Sipos, P., Pálinkó, I.:

Self-assembling of 2,3-phenyl/thienyl-substituted acrylic acids over polycrystalline gold,

J. Mol. Struct. 1044, 32 (2013).


(23) Csankó, K., Ruusuvuori, K.I., Tolnai, B., Sipos, P., Berkesi, O., Pálinkó, I.:

Structural features of pyridylcinnamic acid dimers and their extended hydrogen-bonded aggregations,

J. Mol. Struct. 1090, 25 (2015).


Other molecules


(24) Aakery, C.B., Evans, T.A., Seddon, K.R., Pálinkó, I.:

The C-H...Cl hydrogen bond: does it exist?

New J. Chem. 23, 145 (1999).


(25) Fenyo, R., Tímár, Z., Pálinkó, I., Penke, B.:

Computer aided design of triplet forming artificial nucleobases,

Nucleosides & Nucleotides 18, 1127 (1999).


(26) Fenyo, R., Tímár, Z., Pálinkó, I., Penke, B.:

The triplex forming ability of nonnatural nucleobases - a computational approach,

J. Mol. Struct., THEOCHEM 496, 101 (2000).


(27) Paragi, G., Pálinkó, I., Van Alsenoy, C., Gyémánt, I.K., Penke, B.,Tímár, Z.:

Ab initio studies on the H-bonding of hypoxanthine and DNA bases,

New. J. Chem. 26, 1503 (2002).


(28) Berkesi, O., Körtvélyesi, T., Hetényi Cs., Németh, T., Pálinkó, I.:

Hydrogen bonding interactions of benzylidene type Schiff bases studied by vibrational spectroscopic and computational methods,

PCCP 5, 2009 (2003).


(29) Magyar, A., Szendi, Zs., Kiss, J.T., Pálinkó, I.:

Intra- and intermolecular hydrogen bondings in steroids - a combined experimental and theoretical study,

J. Mol. Struct. THEOCHEM 666/667, 163 (2003).


(30) Fekete, Z.A., Körtvélyesi, T., Andor, J., Pálinkó, I.:

L-2-hydroxypropionic acid in aqueous solution - a spectroscopic and computational study,

J. Mol. Struct. THEOCHEM 666/667, 159 (2003).


(31) Hoffmann, E.A., Fekete, F., Rajkó, R., Pálinkó, I., Körtvélyesi, T.:

Theoretical characterization of gas-liquid chromatographic stationary phases with quantum chemical descriptors,

J. Chromatogr. A 1216, 2540 (2009).


(32) Truong Ngoc Hung, Varga, G., Kónya, Z., Kukovecz, Á., Kozma, G., Havasi, V., Sipos, P., Mlosto, G., Pálinkó, I.:

The aggregation behaviour of 2H-imidazole-2-thione derivatives in solution, the solid state and over polycrystalline gold surface,

J. Mol. Struct. 1180, 26 (2019).