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Institute of Chemistry> People> Igor TVAROŠKA> Publications>
Igor TVAROŠKA, Ing., DrSc.
Senior Research Scientist


Tel.: +421-2-59410322
Fax.: +421-2-59410222
Publications
→ 2001 - present
→ 1991 - 2000
→ 1981 - 1990
→ 1971 - 1980

2001 - present
132. P. Dzygiel, T. B. Reeve, U. Piarulli, M. Krupicka, I. Tvaroska, C. Gennari
Resolution of racemic N-benzyl alpha-amino acids by liquid-liquid extraction: A practical method using a lipophilic chiral cobalt(III) salen complex and mechanistic studies.
Eur. J. Org. Chem., 2008, 1253-1264.
131. L. Sihelnikova, I. Tvaroska
Elucidation of the Au-S bond in a passivated gold cluster through density functional theory calculations.
Condens. Matter, 2008, 20, 064214.
130. S. Bekesova, V. Kovacik, I. Tvaroska, Z. Curillova, L. Skultety, P. Rehulka
Elimination of isocyanate and isothiocyanate molecules at the electrospray ionization ion trap, electrospray ionization quadrupole time-of-flight and matrix-assisted laser desorption/ionization time-of-flight tandem mass spectrometry fragmentation of sodium cationized brassitin, brassinin and their glycosides.
Eur. J. Mass Spectrom., 2007, 13, 147-154.
129. L. Sihelnikova, I. Tvaroska
Step by step towards understanding gold glyconanoparticles as elements of the nanoworld.
Chem. Papers, 2007, 61, 237-255.
128. S. Kozmon, I. Tvaroska
Catalytic mechanism of glycosyltransferases: Hybrid quantum mechanical/molecular mechanical study of inverting N-acetylglucosaminyltransferase I.
J. Am. Chem. Soc., 2006, 128, 16921-16927.
127. S. Kozmon, I. Tvaroska
DFT study on 3-substituted tetrahydropyran-2-yl radicals.
Collect. Czech. Chem. Commun., 2006, 71, 1453-1469.
126. I. Tvaroska
Molecular modeling of retaining glycosyltransferases.
NMR spectroscopy and computer modeling of carbohydrates: Recent advances
ACS Symposium Series, 2006, 930, 285-301.
125. V. Kovacik, S. Bekesova, I. Tvaroska, P. Kovac
Positive electrospray ion trap multistage mass spectrometric fragmentacion of synthetic analogs of saccharide part of lipopolysaccharides of vibrio cholerae O:1.
J. Am. Soc. Mass Spectrom., 2006, 17, 749-756.
124. I. Tvaroska
Structural Insights into the Catalytic Mechanism and Transition State of Glycosyltransferases using ab initio Molecular Modeling.
Trends Glycoscience Glycotechnology (TIGG), 2005, 17, 177-190.
123. M. Raab, S. Kozmon, and I. Tvaroska
Potential transition-state analogs for glycosyltransferases. Design and DFT calculations of conformational Behavior.
Carbohydr. Res. 2005, 340, 1051-1057.
122. F. R. Taravel, K. Mazeau, and I. Tvaroska
Computer Modeling of Polysaccharide-Polysaccharide Interactions. Polysaccharides: Structural Diversity and Functional Versatility.
(S. Dumitriu, ed.), Marcel Dekker, Inc., New York, 2004, Chapter 6, 281-304, ISBN: 0-8247-5480.
121. V. Kovacik, S. Bekesova, I. Tvaroska, J. Hirsch, and J. Chmelik
Electrospray ionization ion-trap multistage mass spectrometric study of sodium cationized aldobiuronic and pseudoaldobiuronic acid derivatives.
J. Mass Spectrom. 2004, 39, 1554-1561.
120. I. Tvaroska
Molecular modeling insights into the catalytic mechanism of the retaining galactosyltransferase LgtC.
Carbohydr. Res. 2004, 339, 1007-1014.
119. F. Peri, J. Jimenez-Barbero, V. Garcia-Aparicio, I. Tvaroska, and F. Nicotra
Synthesis and Conformational Analysis of Novel N(OCH3)-linked Disaccharide Analogues.
Chem. Eur. J. 2004, 10, 1433-1444.
118. T.-Y. Yen, B. A.Macher, S. Bryson, X. Chang, I. Tvaroska, R. Tse, S. Takeshita, A. M. Lew, and A. Datti
Highly Conserved Cysteines of Mouse Core 2 ?1,6-N-Acetylglucosaminyltransferase I Form a Network of Disulfide Bonds and Include a Thiol That Affects Enzyme Activity.
J. Biol. Chem. 2003, 278, 45864-45881.
117. I. Tvaroška, I. Andre and J.P. Carver: Catalytic Mechanism of the Inverting N-acetylglucosaminyltransferase I: DFT Quantum Mechanical Study of the Raction Pathway and Determination of the Transition State Structure. Glycobiology 2003, 13, 559-566.
116. I. André, I. Tvaroška, and J. P. Carver: On the Reaction Pathways and Determination of Transition State Structures for Retaining α-Galactosyltransferases. Carbohydr. Res. 2003, 338, 867-879.
115. I. Tvaroska, F. R. Taravel, J. P. Utille, J. P. Carver: Quantum Mechanical and NMR Spectroscopy studies on the Conformations of the Hydroxymethyl and Methoxymethyl Groups in Aldohexosides. Carbohydr. Res. 2002, 337, 353-367.
114. M. Rao and I. Tvaroska: Structure of Bovine α-1,3-Galactosyltransferase and its Complexes with UDP and DPGal Inferred from Molecular Modeling. Proteins 2001, 44, 428-434.

1991 - 2000
113. I. Tvaroska, I. André, and J. P. Carver: Ab Initio Molecular Orbital Study of the Catalytic Mechanism of Glycosyl-transferases: Description of Reaction Pathways and Determination of Transition-State Structures for Inverting N-Acetylglucosaminyltransferases. J. Am. Chem. Soc. 2000, 122, 8762-8776.
112. I. André, I. Tvaroska, and J.P. Carver: Effects of the Complexation by the Mg2+ Cation on the Stereochemistry of the Sugar?Diphosphate Linkage. Ab Initio Modeling on Nucleotide?Sugars. J. Phys. Chem. A 2000, 104, 4609-4617.
111. I. Tvaroska, I. Andre, and J.P. Carver: Ab Initio Studies of Conformational Properties of Dimethyl Diphosphate Dianion and its Complex with Magnesium. THEOCHEM, J. Mol. Struct. 1999, 469, 103-114.
110. I. Tvaroska, I. Andre, and J. P. Carver: Ab Initio Molecular Orbital Study of the Conformational Behavior of the Sugar-Phosphate Linkage. Toward an Understanding of the Catalytic Mechanism of Glycosyltransferases. J. Phys. Chem. B 1999, 103, 2560-2569.
109. I. Tvaroska and J. P. Carver: The Anomeric and Exo-anomeric Effects of a Hydroxyl Group and the Stereochemistry of the Hemiacetal linkage. Carbohydr. Res. 1998, 309, 1-9.
108. T. Kozar, I. Tvaroska, and J. P. Carver: Studies on the Conformational Behaviour of GlcNAc-Man3-GlcNAc2 Oligosaccharides Using Molecular Dynamics Simulations. Glycoconjugate J. 1998, 15, 187-191.
107. I. Tvaroska and F.R. Taravel: Computer Modelling of Polysaccharide-Polysaccharide Interactions. InPolysaccharides: Structural Diversity and Versatility (S. Dumitriu, ed.), Marcel Dekker, Inc., New York (84 pages), 1998, Chapter 5, 173-210.
106. I. Tvaroska and J.P. Carver: Ab initio MO Study of Swainsonine - Mannosidases Inhibitor. Glycoconjugate J. 1997, 14, S102.
105. I. Tvaroska and J.P. Carver: Ab Initio Molecular Orbital Calculation on Carbohydrate Model Compounds. 4. The Flexibility of Y-type Glycosidic Bonds. THEOCHEM, J. Mol. Struct. 1997, 395-396, 1-13.
104. B. Boutherin, K. Mazeau, and I. Tvaroska: Conformational Statistics of Pectin Substances in Solution by a Metropolis Monte Carlo Study. Carbohydr. Polymers 1997, 32, 255-266.
103. I. Tvaroska and J.P. Carver: Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 6. The Gauche Effect and Conformations of the Hydroxymethyl and Methoxymethyl Groups. J. Phys. Chem. B. 1997, 101, 2992-2999.
102. I. Andre, K. Mazeau, I. Tvaroska, J.-L. Putaux, W.T. Winter, F.R. Taravel, and H. Chanzy: Molecular and Crystal Structures of Inulin from Electron Diffraction Data. Macromolecules 1996, 29, 4626-4635.
101. I. Tvaroska and J.P. Carver: Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 5. Anomeric, Exo-Anomeric, and Reverse Anomeric Effects in C-, N-, and S-Glycosyl Compounds. J. Phys. Chem. 1996, 100, 11305-11313.
100. F. Bizik and I. Tvaroska: On the Flexibility of the Lewis x, Lewis a, Sialyl Lewis x, and Sialyl Lewis a Oligosaccharides. Conformational Analysis in Solution by Molecular Modelling. Chem. Papers 1996, 50, 84-96.
99. K. Mazeau, F.R. Taravel, and I. Tvaroska: Angular Dependence of the C-6 Chemical Shift and the Conformation of the Hydroxymethyl Group in Carbohydrates. Chem. Papers 1996, 50, 77-83.
98. F. Bizik and I. Tvaroska: Conformational Analysis of Disaccharide Fragments of Blood Group Determinants in Solution by Molecular Modelling. Chem. Papers 1995, 49, 202-214.
97. C. Fringant, I. Tvaroska, K. Mazeau, M. Rinaudo, and J. Desbrieres: Hydration of α-Maltose and Amylose: Molecular Modelling and Thermodynamics Study. Carbohydr. Res. 1995, 278, 27-41.
96. F.R. Taravel, K. Mazeau, and I. Tvaroska: Conformational Analysis of Carbohydrates inferred from NMR Spectroscopy and Molecular Modeling. Applications to the behavior of Oligo- Galactomannan chains. Brazilian J. of Med. and Biol. Res. 1995, 28, 723-732.
95. I. Tvaroska and F.R. Taravel: Carbon-proton Coupling Constants in the Conformational Analysis of Sugar Molecules. Adv. Carbohydr. Chem. Biochem. 1995, 51, 15-61.
94. I. Tvaroska and J. Gajdos: Angular Dependence of Vicinal Carbon-Proton Coupling Constants for the Conformational Studies of Hydroxymethyl Group in Carbohydrates. Carbohydr. Res. 1995, 271, 151-162.
93. I. Andre, K. Mazeau, F.R. Taravel, and I. Tvaroska: Conformation and Dynamics of a Cyclic (1-2)-β-D-Glucan. Int. J. Biol. Macromol. 1995, 17, 189-198.
92. I. Andre, K. Mazeau, F.R. Taravel, and I. Tvaroska: NMR and Molecular Modelling of Sophorose and Sophorotriose in Solution. New J. Chem. 1995, 19, 331-339.
91. I. Tvaroska and J.P. Carver: Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 3. Effect of the Electric Field on Conformations about the Glycosidic Linkage. J. Phys. Chem. 1995, 99, 6234-6241.
90. C. Gouvion, K. Mazeau, and I. Tvaroska: The Role of Chemical Structure on the Stereochemistry of the α-(1-4) Diaxial Glycosidic Linkage. J. Mol. Struct. 1995, 344, 157-170.
89. T. Turquois, C. Rochas, F.R. Taravel, and I. Tvaroska: Computer Modelling of Kappa Carrageenan-Mannan Interactions. J. Mol. Recogn. 1994, 7, 243-250.
88. I. Tvaroska and J.P. Carver: Ab initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 2. Conformational Analysis of Axial and Equatorial 2-Methoxytetrahydropyrans. J. Phys. Chem. 1994, 98, 9477-9485.
87. C. Gouvion, K. Mazeau, A. Heyraud, F.R. Taravel, and I. Tvaroska: Conformational Study of Digalacturonic Acid and Sodium Digalacturonate in Solution. Carbohydr. Res. 1994, 261, 187-202.
86. F. Bizik, I. Tvaroska, and M. Remko: Conformational Analysis of Ester and Ether Linkages in Lignin-arabinoxylan Complexes. Carbohydr. Res. 1994, 261, 91-102.
85. I. Tvaroska and J.P. Carver: Ab initio Molecular Orbital Calculation on Carbohydrate Model Compounds. 1. The Anomeric Effect in Fluoro and Chloro Derivatives of Tetrahydropyran. J. Phys. Chem. 1994, 98, 6452-6458.
84. F.R. Taravel, V. Durier, C. Gouvion, K. Mazeau, and I. Tvaroska: Conformational Analysis of Carbohydrates Inferred from Carbon-proton Coupling Constants. J. Chim. Phys. 1994, 91, 798-805.
83. A.J. Duben, M. Hricovini, and I. Tvaroska: The Conformational Analysis of Methyl β-xylobioside: Effect of Choice of Potential Functions. Carbohydr. Res. 1993, 247, 71-81.
82. I. Tvaroska and F.R. Taravel: One-bond Carbon-proton Coupling Constants: Angular Dependence in β-linked Oligosaccharides J. Biomol. NMR 1992, 2, 421-430.
81. I. Tvaroska: Theoretical Aspects of Structure and Conformation of Oligosaccharides. Curr. Opinion Struct. Biol. 1992, 2, 661-665.
80. I. Tvaroska, K. Mazeau, M. Blanc-Muesser, S. Lavaitte, H. Driguez, and F.R. Taravel: Karplus-type Equation for Vicinal Carbon-proton Coupling Constants for the C-S-C-H Pathway in 1-Thioglycosides. Carbohydr. Res. 1992, 229, 225-231.
79. I. Tvaroska, C. Rochas, F.R. Taravel, and T. Turquois: Kappa Carrageenan-mannan Interaction: a Theoretical Approach. In Gums and Stabilisers for the Food Industry, Vol. 6, Philips, G.O., Weldlock, D.J., Williams, P.A., Eds.; IRL Press, Oxford University Press, Oxford, 1992, 231-234.
78. I. Tvaroska, C. Rochas, F.R. Taravel, and T. Turquois: Computer Modeling of Polysaccharide-Polysaccharide Interactions: An Approach to the K-Carrageenan-Mannan Case. Biopolymers 1992, 32, 551-560.
77. K. Mazeau and I. Tvaroska: PCILO Quantum-mechanical Relaxed Conformational Energy Map of Methyl 4-thio-α-maltoside in Solution. Carbohydr. Res. 1992, 225, 27-41.
76. I. Tvaroska and F.R. Taravel: One-bond Carbon-proton Coupling Constants: Angular Dependence in α-linked Oligosaccharides. Carbohydr. Res. 1991, 221, 83-94.
75. M. Hricovini, I. Tvaroska, J. Hirsch, and A.J. Duben: Nuclear Overhauser Effects and the Flexibility of Saccharides: Methyl β-xylobioside. Carbohydr. Res. 1991, 210, 13-20.
74. I. Tvaroska and J.P. Carver: Theoretical Studies on the Conformation of Saccharides. Part 15. AM1 Calculation of Relative Stabilities and Geometries of Conformers. J. Chem. Res. (M), 1991, 123-144.
73. I. Tvaroska and J.P. Carver: Theoretical Studies on the Conformation of Saccharides. Part 15. AM1 Calculation of Relative Stabilities and Geometries of Conformers. J. Chem. Res. (S), 1991, 6-7.

1981 - 1990
72. M. Remko, I. Tvaroska, M. Fiserová, and R. Brezny: MO Investigations on Lignin Model Compounds XXII. Experimental and CNDO/S Study of Electronic Spectra of β-Aryl Ether Structure. Z. Phys. Chem. 1990, 271, 927-930.
71. M. Hricovini and I. Tvaroska: Conformational Dependence of the One-Bond Carbon-Proton Coupling Constants in Oligosaccharides. Magn. Reson. Chem. 1990, 28, 862-866.
70. I. Tvaroska, A. Imberty, and S. Perez: Solvent Effect on the Stability of Isomaltose Conformers. Biopolymers 1990, 30, 369-379.
69. I. Tvaroska: Theoretical Studies on the Conformation of Saccharides, XIII Dependence on Saccharide Conformation of the One-bond and Three-Bond Carbon-Proton Coupling Constants. Carbohydr. Res. 1990, 206, 55-64.
68. T. Kozar, F. Petrak, Z. Galová, and I. Tvaroska: RAMM - a New Procedure for Theoretical Conformational Analysis of Carbohydrates. Carbohydr. Res. 1990, 204, 27-36.
67. T. Kozar and I. Tvaroska: Theoretical Studies on the Conformation of Saccharides. XIV. Structure and Conformational Properties of the Glycosylamines. Biopolymers 1990, 29, 1531-1539.
66. M. Hricovini, I. Tvaroska, and J. Hirsch: Solution Behavior of Methyl β-Xylobioside: Conformational Flexibility Revealed by N.M.R. Measurements and Theoretical Calculations. Carbohydr. Res. 1990, 198, 193-203.
65. I. Tvaroska, T. Kozar, and M. Hricovini: Oligosaccharides in Solution. Conformational Analysis by NMR Spectroscopy and Calculation. In Computer Modeling of Carbohydrate Molecules, (A.D. French, J.W. Brady, eds.) ACS Symposium Series, American Chemical Society, 430, 1990, 162-176.
64. I. Tvaroska: Computational Methods for Studying Oligo- and Polysaccharide Conformations Pure & Appl. Chem. 1989, 61, 1201-1216.
63. I. Tvaroska and T. Bleha: Anomeric and Exo-anomeric Effects in Carbohydrate Chemistry. Adv. Carbohydr. Chem. Biochem. 1989, 47, 45-123.
62. I. Tvaroska, M. Hricovini, and E. Petrakova: An Attempt to Derive a New Karplus-type Equation of Vicinal Proton-Carbon Coupling Constants for C-O-C-H Segments of Bonded Atoms. Carbohydr. Res. 1989, 189, 359-362.
61. M. Hricovini, I. Tvaroska, D. Uhrin, and Gy. Batta: Determination of Long Range Proton Carbon Coupling Constants by Modified Semi-selective Two-dimensional INEPT: An Application in Stereochemical Analysis of Saccharides. J. Carbohydr. Chem. 1989, 8, 389-394.
60. I. Tvaroska: Theoretical Studies on the Conformation of Saccharides. XII. The Anomeric Effect in Glycosyl Halides. Chem. Papers 1989, 43, 239-244.
59. I. Tvaroska: Conformational Analysis of Oligosaccharides in Solution. Int. J. Quantum Chem. 1989, 35, 141-151.
58. I. Tvaroska: Calculations of the Conformational Properties of Carbohydrates in Solution. Chim. Oggi 1988, 21-26.
57. S. Kucar, I. Tvaroska, J. Zemek, D. Anderle, and M. Matulová: Partial Methanolysis and Hydrazinolysis of Some Derivatives of 1,6-Anhydro-β-D-glucopyranose. Chem. Papers 1988, 42, 389-399.
56. M. Remko and I. Tvaroska: Molecular Orbital Investigations on Lignin Model Compounds. XXI. Solvent Effect on the Stability of β-Aryl Ether and Benzyl Aryl Ether Dimeric Units of Lignin. Holzforschung 1987, 41, 371-377.
55. I. Tvaroska and J. Gajdos: Standard Geometrical Models for Hexopyranoses. Chem. Papers 1987, 41, 485-500.
54. I. Tvaroska and T. Kozar: Theoretical Studies on the Conformation of Saccharides. XI. Stereochemistry of Methyl α- and Methyl β-D-Glucopyranosides in Solution. Chem. Papers 1987, 41, 501-510.
53. I. Tvaroska, S. Perez, O. Noble and F. Taravel: Theoretical Studies on the Conformation of Saccharides. X. Solvent Effect on the Stability of Mannobiose Conformers. Biopolymers 1987, 26, 1499-1508.
52. I. Tvaroska and L. Vaclavik: Theoretical Studies on the Conformation of Saccharides. IX. Stereochemistry of Nonreducing Disaccharides in Solution. Carbohydr. Res. 1987, 160, 137-149.
51. B. Henrissat, S. Perez, I. Tvaroska, and W. Winter: Multidisciplinary Approaches to the Structures of Model Compounds for Cellulose II. ACS Symposium Series 1987, 340, 38-67.
50. I. Tvaroska: The Structure and Conformational Properties of Carbohydrates. InTheoretical Chemistry of Biological Systems, Naray-Szabo, G., Ed.; Elsevier, New York, 1986, 283-348.
49. I. Tvaroska and S. Perez: Conformational-Energy Calculations for Oligosaccharides: A Comparison of Methods and a Strategy of Calculation. Carbohydr. Res. 1986, 149, 389-410.
48. I. Tvaroska and T. Kozar: Theoretical Studies on the Conformation of Saccharides. VII. Structure and Stereochemistry of α- and β-D-Glucopyranose in Solution. Theor. Chim. Acta 1986, 70, 99-114.
47. L. Turi-Nagy, I. Tvaroska and D. Tunega: Effect of the Electric Field on Molecular Structure in the MNDO Approximation. Collect. Czech. Chem. Commun. 1986, 51, 1803-1818.
46. I. Tvaroska and T. Bleha: Theoretical Stereochemistry of Molecules with Heteroatoms Linked to the Tetrahedral Centre and the Anomeric Effect. Chem. Zvesti 1985, 39, 805-847.
45. I. Tvaroska and T. Kozar: Theoretical Studies on the Conformation of Saccharides. VI. Influence of the Pyranoid Ring Shape on the Conformational Properties of the Glycosidic Linkage and on the Magnitude of the Exo-Anomeric Effect. J. Mol. Struct. 1985, 123, 141-154.
44. V. Kovacik, E. Petrakova, V. Mihalov, I. Tvaroska, and W. Heerma: Electron Impact, Chemical Ionisation and Collisional Activation Mass Spectrometry of Methyl O-Acetyl-β-D-Xylopyranosides. Biomed. Mass Spectr. 1985, 12, 49-58.
43. Z. Friedl, P. Friedl, J. Biros, V. Uchytilová, I. Tvaroska, S. Bohm, and O. Exner: Electrostatic Effects on Conformational Equilibria: Solvation Enthalpies and the Reaction Field Theory. Collect. Czech. Chem. Commun. 1984, 49, 2050-2069.
42. I. Tvaroska: Theoretical Studies on the Conformation of Saccharides VIII. Solvent Effect on the Stability of β-Cellobiose Conformers. Biopolymers 1984, 23, 1951-1960.
41. I. Tvaroska: Theoretical Study on the Stereochemistry of Bis(Methylthio)methane, a Model of Dithioacetal Segment in Thiosaccharides. Chem. Zvesti 1984, 38, 189-197.
40. I. Tvaroska: Theoretical Study of Stereochemistry of Methoxy(Methylthio)Methane as a Model of Thioacetal Segment in Thiosaccharides. Collect. Czech. Chem. Commun. 1984, 49, 345-354.
39. I. Tvaroska: An Attempt to Derive the Potential Function for Evaluation of the Energy Associated with the Exo-Anomeric Effect. Carbohydr. Res. 1984, 125, 155-160.
38. I. Tvaroska, K. Ogawa, Y. Deslandes, and R.H. Marchessault: Crystalline Conformation and Structure of Lichenan and Barley β-Glucan. Can. J. Chem. 1983, 61, 1608-1616.
37. V. Mihalov, V. Kovacik, R. Toman, and I. Tvaroska: Mass Spectrometry of the Positionally Isomeric, Monobenzyl Ethers of Methyl Glycopyranosides. Carbohydr. Res. 1983, 119, 13-24.
36. R. Toman, F. Janecek, I. Tvaroska, and M. Zikmund: Regioselective Enhancement of the Nucleophilicity of the Hydroxyl Groups in Methyl α-L-Rhamnopyranoside by Complexation with Tin/II/Chloride. Carbohydr. Res. 1983, 118, 21-28.
35. M. Fedoronko, M. Petrusova, and I. Tvaroska: Acid-Catalyzed Hydrolysis of 2-Methoxypropenal. Carbohydr. Res. 1983, 115, 85-94.
34. I. Tvaroska and T. Kozar: Theoretical Studies on the Conformation of Saccharides. V. Hydration of the Acetal Segment in Glycosides. Int. J. Quantum Chem. 1983, 23, 765-778.
33. I. Tvaroska: Theoretical Studies on α-Maltose Conformers in Solution. Carbohydr. Polym. 1982, 2, 307.
32. I. Tvaroska: MNDO Conformations of Chloromethyloxirane and Solvent Effect. Collect. Czech. Chem. Commun. 1982, 47, 3199-3205.
31. I. Tvaroska: Theoretical Studies on the Conformation of Saccharides. IV. Solvent Effect on the Stability of β-Maltose Conformers. Biopolymers 1982, 21, 1887-1897.
30. T. Bleha, I. Tvaroska, V. Klimo, J. Gajdos, and J. Mlynek: Spatial Structure, Properties and Functions of Some Biological Molecules and Macromolecules. Acta Univ. Comen. Phys. 1982, 22, 209-212.
29. I. Tvaroska, S. Bystricky, P. Malon, and K. Bláha: Non-Planar Conformations of Methylacetamide: Solvent Effect and Chiroptical Properties. Collect. Czech. Chem. Commun. 1982, 47, 17-28.
28. I. Tvaroska and T. Kozar: Structure of the Acetal Segment in O-Glycosides. Chem. Zvesti 1981, 35, 425-440.
27. T. Bleha, J. Mlynek, and I. Tvaroska: Conformational Dependence of Solvation Energy of Phosphates. Collect. Czech. Chem. Commun. 1981, 46, 1722-1733.
26. I. Tvaroska, P. Gemeiner, and L. Drobnica: Alkyl Isothiocyanates: Conformational Analysis and Structure-Activity Studies. Eur. J. Med. Chem. 1981, 16, 131-138.
25. I. Tvaroska and T. Kozar: Theoretical Studies on the Conformation of Saccharides. II. The Conformational Properties of the Glycosidic Linkage. Carbohydr. Res. 1981, 90, 173-185.

1971 - 1980
24. T. Bleha, J. Gajdos, and I. Tvaroska: Change of the Molecular Surface and Volume During Internal Rotation and its Effect on Conformational Equilibrium in Solution. J. Mol. Struct. 1980, 68, 189-198.
23. I. Tvaroska and T. Kozar: Theoretical Studies on the Conformation of Saccharides. 3. Conformational Properties of the Glycosidic Linkage in Solution and Their Relation to the Anomeric and Exoanomeric Effects. J. Am. Chem. Soc. 1980, 102, 6929-6936.
22. I. Tvaroska and T. Bleha: Calculation of Solvent Effect on Conformation Stability and Anomeric Effect in Dimethoxymethane. Collect. Czech. Chem. Commun. 1980, 45, 1883-1895.
21. M. Fedoronko, P. Temkovic, J. Königstein, V. Kovácik, and I. Tvaroska: Study of the Kinetics and Mechanism of the Acid-Base-Catalyzed Enolization of Hydroxyacetaldehyde and Methoxyacetaldehyde. Carbohydr. Res. 1980, 87, 35-50.
20. M. Fedoronko, P. Temkovic, V. Mihalov, and I. Tvaroska: Kinetics and Mechanism of the Acid-Catalyzed Reactions of Methylated Trioses. Carbohydr. Res. 1980, 87, 51-62.
19. S. Bystricky, T. Sticzay, and I. Tvaroska: Effect of Temperature on Chiroptical and Conformational Properties of Acyclic Ketoses. Collect. Czech. Chem. Commun. 1980, 45, 475-481.
18. J. Mlynek, T. Bleha, and I. Tvaroska: Calculation of Electrostatic Interactions in Torsional Potential of the Internucleotide Phosphodiesteric Unit. Chem. Zvesti 1980, 34, 3-17.
17. T. Kozar and I. Tvaroska: Theoretical Studies on the Conformation of Saccharides. I. Conformational Flexibility of the Pyranose Ring. Theor. Chim. Acta 1979, 53, 9-19.
16. I. Tvaroska and T. Bleha: Incorporation of Lone Pairs into the Electrostatic Term in the Empirical Intra- and Intermolecular Energy Calculations. Biopolymers 1979, 18, 2537-2547.
15. I. Tvaroska and T. Bleha: Lone Pair Interactions in Dimethoxymethane and Anomeric Effect. Can. J. Chem. 1979, 57, 424-435.
14. I. Tvaroska, S. Perez, and R.H. Marchessault: Conformational Analysis of (1-6)-α-D-Glucan. Carbohydr. Res. 1978, 61, 97-106.
13. I. Tvaroska and T. Bleha: Role of Electrostatic Interactions in Determination of Anomeric Effect in Molecular-Mechanical Calculations of Acetal Conformation. Collect. Czech. Chem. Commun. 1978, 43, 922-931.
12. S. Bystricky, I. Tvaroska, and K. Blaha: Conformational Analysis of 2-Acetamido-1,3-Propanediol as a Model of 3-Acetamido-3-Deoxyhexopyranoses. Collect. Czech. Chem. Commun. 1977, 42, 1002-1012.
11. P. Kovac, J. Hirsch, I. Tvaroska, R. Palovcik, V. Kovacik, and T. Sticzay: Synthesis of Methyl (Methyl α-L-Altropyranosid) Uronate and Some of its Derivatives. Collect. Czech. Chem. Commun. 1976, 41, 3804-3811.
10. P. Kovac, J. Hirsch, R. Palovcik, I. Tvaroska, and S. Bystricky: Purdie Reagent-Induced C5-Epimerization of D-Galacturonic Acid Derivatives in the Presence of Methyl Sulphide. Collect. Czech. Chem. Commun. 1976, 41, 3119-3130.
9. I. Tvaroska: Mechanism of Thermal Degradation of PVC. Proc. Int. Symp. PVC, Lyon, 1976, 301-304.
8. I. Tvaroska and T. Bleha: The Different Nature of the Anomeric Effect for Methoxy and Chlorine Substituents. Tetrahedron Lett. 1975, 4, 249-252.
7. I. Tvaroska and T. Bleha: Molecular Orbitals Studies of the Conformations of Dimethoxymethane. J. Mol. Struct. 1975, 24, 249-259.
6. L. Valko, I. Tvaroska, and P. Kovarík: Saturated Irregular Structures in Polyvinyl Chloride. Eur. Polym. J. 1975, 11, 411-416.
5. I. Tvaroska, T. Bleha, and L. Valko: On Thermal Dehydrochlorination of Model Compounds for PVC IV. MO Study of the Catalytic Effect of Hydrogen Chloride. Polym. J. 1975, 7, 34-43.
4. I. Tvaroska, V. Klimo and L. Valko: On Thermal Dehydrochlorination of Model Compounds for Polyvinyl Chloride-II. Extended Hückel and Iterative Extended Hückel Calculations on the β-cis-Dehydrochlorination of Ethyl Chloride. Tetrahedron 1974, 30, 3275-3280.
3. L. Valko and I. Tvaroska: Irregular Structures in Polyvinylchloride II. Unsaturated Structures. Angew. Makromol. Chem. 1972, 23, 173-187.
2. L. Valko, I. Tvaroska, and V. Kello: Irregular Structures in Polyvinylchloride I. Saturated Structures. Chem. Zvesti 1972, 26, 3-17.
1. L. Valko and I. Tvaroska: On Thermal Dehydrochlorination of Model Compounds for Polyvinylchloride-I. Eur. Polym. J. 1971, 7, 41-54.
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