[ sulge aken ]

Elulookirjeldus (CV)
1.Eesnimi Peeter
2.Perekonnanimi Burk
3.Töökoht Tartu Ülikool, Keemilise füüsika instituut
4.Ametikoht professor, dekaan
5.Sünniaeg 10.08.1965 (päev.kuu.aasta)
6.Haridus Kõrgem (keemia) Tartu Ülikool, 1990
Doktorikraad (keemia) Tartu Ülikool, 1994
7.Teenistuskäik 1990-1991 aspirant, TÜ analüütilise keemia kateeder 1991-1994 - doktorant, TÜ analüütilise keemia kateeder, Keemilise füüsika instituut
1993 september -1994 aprill - keemik-analüütik (0.3 kohaga), TÜ Keemilise füüsika instituut
1994 aprill - august - lektor (0.9 kohaga), TÜ Keemilise füüsika instituut
1994 august - 2003 jaanuar dotsent, TÜ Keemilise füüsika instituut
1996 - A. v. Humboldt'i stipendiaat (prof. P.v.R. Schleyeri juures), Orgaanilise keemia instituut I, Erlangen-Nürnbergi Ülikool, Saksamaa
1998 august - 2001 detsember projektijuht, Tartu Ülikooli Tehnoloogiakeskus
1998 - külalisprofessor, Nice'i Ülikool, Prantsusmaa
2000 juuni - Tartu Ülikooli Füüsik-keemiateaduskonna arendusprodekaan
2001 aprill - 2003 jaanuar keemilise füüsika õppetooli hoidja, TÜ Keemilise füüsika instituut
2003 veebruar - keemilise füüsika professor, TÜ Keemilise füüsika instituut
2004 aprill - Tartu Ülikooli Füüsika-keemiateaduskonna dekaan
8.Teaduskraad keemiadoktor
9.Teaduskraadi välja
andnud asutus, aasta		 Tartu Ülikool, 1994
10.Tunnustused Eesti Vabariigi teaduspreemia keemia ja molekulaarbioloogia alal, 1997.
11.Teadusorganisatsiooniline
ja –administratiivne
tegevus		 ETF keemia ja molekulaarbioloogia ekspertkomisjoni liige

Haridus- ja teadusministeeriumi üliõpilaste teadustööde riikliku konkursi konkursikomisjoni liige
12.Juhendamisel kaitstud
väitekirjad

Imbi Rauk, MSc, 2005, juh. Peeter Burk, Tarmo Tamm. Polüpürrooli pentameeri dikatiooni ja mõningate anioonide vaheliste interaktsioonide võrdlev poolempiiriline, ab initio ja DFT uurimus. TÜ

Martin Kutsar, MSc, 2005, juh. Peeter Burk. Komplekseerumisentalpiad Lewisi aluste ja BF3 vahel: mõnede arvutuskeemia meetodite võrdlus. TÜ

Kaido Sillar, PhD, 2004, juh. Peeter Burk. Computational Study of the Acid Sites in Zeolite ZSM-5. TÜ

Jaana Tammiku-Taul, PhD, 2003, juh. Peeter Burk, Ants Tuulmets. Quantum Chemical Study of the Properties of Grignard Reagents. TÜ

Sven Tamp, MSc, 2003, juh. Peeter Burk. Leelismetallide oksiidide ja hüdroksiidide teoreetiline uurimine. TÜ

Ivar Koppel, PhD, 2001, juh. Peeter Burk, Ilmar Koppel. Quantum Chemical Study of Acidity of Strong and Superstrong Brønsted Acids. TÜ

Kaido Tämm, MSc, 2001, juh. Peeter Burk. Prototroopne tautomerism fosfooniumühendites. TÜ

Alar Rummal, MSc, 2000, juh. Peeter Burk, Ilmar Koppel. The Quantum Chemical Study of Acidity of Fluomethanols and –thiols. TÜ

Aleksander Trummal, MSc, 2000, juh. Peeter Burk, Ilmar Koppel. The Quantum Chemical Study of Clusters between DMSO and Anions. TÜ

Jaana Tammiku, MSc, 2000, juh. Peeter Burk, Ants Tuulmets. 1,10-Phenanthroline and Its Complexes with Magnesium Compounds. TÜ

Kaido Sillar, MSc, 2000, juh. Peeter Burk. The Factors Controlling Gas-Phase Acidity of Alkanes. TÜ

Sirje Mäeorg, MSc, 2000, juh. Peeter Burk, Uno Mäeorg. Interpretation of stretching vibrations of CC-triple bonds. TÜ

Ivar Koppel, MSc, 1997, juh. Peeter Burk, Ilmar Koppel. The Quantum Chemical Study of Acidity of Neutral Brønsted Superacids. TÜ

Urmas Muinasmaa, MSc, 1997, juh. Peeter Burk, Jaan Pentchuk. The Quantum Chemical Study of Stability of Metallocomplexes. TÜ
13.Teadustöö põhisuunad Hape-alus tasakaalud
Keto-enoolsed tasakaalud
Solvendiefektide kvantkeemiline modelleerimine Metalliühendite keemia kvantkeemiline modelleerimine
Tseoliitide keemia
Orgaaniliste ühendite fotoelektronspektrid
14.Jooksvad grandid ETF grant nr. 5196 "Leelismetalli-ioonide afiinsused gaasifaasis"
Sihtfinantseeritav teema
"Kompleksimoodustumistasakaalud leelismetalli katioonide ja Lewise aluste vahel"
15.Teaduspublikatsioonid

Peeter Burk, Imbi Rauk, Tarmo Tamm. Comparative semiempirical, ab initio, and DFT study of interactions between polypyrrole pentamer dication and some anions. Proceedings of the Estonian Academy of Sciences, Chemistry, 54 (2), 2005, 85-93.

Peeter Burk, Martin Kutsar. Comparative calculations of complexation enthalpies between Lewis bases ana boron trifluoride. Proceedings of the Estonian Academy of Sciences, Chemistry, 54 (3), 2005, 154-164.

Peeter Burk, Sven Tamp, Jaana Tammiku-Taul, Pieree-Charles Maria, Jean-Francois Gal. Computational study of cesium cation-humic substance interactions. A neutral analogue ligand molecules approach. Proceedings of the Estonian Academy of Sciences, Chemistry, 54 (2), 2005, 70-84.

Pierre-Charles Maria, Jean-Francois Gal, Lionel Massi, Peeter Burk, Jaana Tammiku-Taul ja Sven Tamp. Investigations of cluster ions formed between cesium cations and benzoic, salicylic and phthalic acids by electrospray mass spectrometry and density-functional theory calculations. Toward a modeling of the interaction of Cs+ with humic substances. Rapid Comm. Mass Spectrom. 19, 2005, 568-573.

Ants Tuulmets, Jaana Tammiku-Taul, and Peeter Burk. Computational study of Grignard reaction with alkynes. J. Mol. Struct. (THEOCHEM), 674, 2004, pp. 233-239.

Jaana Tammiku-Taul, Peeter Burk, and Ants Tuulmets. Theoretical Study of Magnesium Compounds: The Schlenk Equilibrium in Gas Phase and in the Presence of Et2O and THF Molecules. J. Phys. Chem. A, 108 (1), 2004, pp. 133-139.

José-Luis M. Abboud, Ibon Alkorta, Peeter Burk, Juan Z. Dávalos, Esther Quintanilla, Ernest W. Della, Ilmar A. Koppel ja Ivar Koppel. The enormous apparent gas-phase acidity of cubylamine. Chem. Phys. Lett. 398 (4-6), 2004, 560-563.

Kaido Sillar and Peeter Burk. Computational study of vibrational frequencies of bridging hydroxyl groups in zeolite ZSM-5. Chem. Phys. Lett., 393 (4-6), 2004, pp. 285-289.

Kaido Sillar and Peeter Burk. Hybrid Quantum Chemical and Density Functional Theory (ONIOM) Study of the Acid Sites in Zeolite ZSM-5. J. Phys. Chem. B, 108 (28), 2004, pp. 9893 - 9899.

Kaido Tämm, Dan C. Fara, Alan R. Katritzky, Peeter Burk, and Mati Karelson. A Quantitative Structure - Property Relationship Study of Lithium Cation Basicities. J. Phys. Chem. A, 108 (21), 2004, pp. 4812-4818.

Uldo Mölder, Peeter Burk ja Ilmar A. Koppel. Quantum chemical calculations of linear cumulene chains. J. Mol. Struct. THEOCHEM 712 (1-3), 2004, 81-89.

Jose-Luis M. Abboud, Ilmar A. Koppel, Ibon Alkorta, Ernest W. Della, Paul Müller, Juan Z. Davalos, Peeter Burk, Ivar Koppel, Viljer Pihl, and Esther Quintanilla. Stereoelectronic, Strain, and Medium Effects on the Protonation of Cubylamine, a Janus-like Base. Angew. Chem. Int. Ed., 42 (20), 2003, pp. 2281-2285.

José-Luis M. Abboud, Ilmar A. Koppel, Juan Z. Dávalos, Peeter Burk, Ivar Koppel, and Esther Quintanilla. Protonation of Cubane in the Gas Phase: A High-Level Ab Initio and DFT Study. Angew. Chem. Int. Ed., 42 (9), 2003, pp. 1044-1046.

Peeter Burk and Sven Tamp. A theoretical study of gas-phase basicities and proton affinities af alkali metal oxides and hydroxides. THEOCHEM, 638, 2003, pp. 119-128.

Ants Tuulmets, Vello Pällin, Jaana Tammiku-Taul, Peeter Burk, and Kristiina Raie. Solvent effects in the Grignard reaction with alkynes. J. Phys. Org. Chem., 15, 2002, pp. 701-705.

Ilmar A. Koppel, Peeter Burk, Ivar Koppel, and Ivo Leito. Generalized Principle of Designing Neutral Superstrong Brönsted Acids. J. Am. Chem. Soc., 124 (19), 2002, pp. 5594-5600.

Kaido Sillar and Peeter Burk. Calculation of the properties of acid sites of the zeolite ZSM-5 using ONIOM method. THEOCHEM, 589, 2002, pp. 281-290.

Uldo Mölder, Rein Pikver, Ivar Koppel, Peeter Burk, and Ilmar A. Koppel. Photoelectron spectra of molecules. Part 12. Vinyl, allyl, and phenyl ethers and sulphides. THEOCHEM, 579, 2002, pp. 205-220.

Urmas Pille, Koit Herodes, Ivo Leito, Peeter Burk, Viljar Pihl ja Ilmar Koppel. Solvatochromism of fullerene C60 in solvent mixtures: application of the preferential solvation model. Proc. Estonian Acad. Sci. Chem. 51 (1), 2002, 3-18.

Ilmar A. Koppel, Reinhard Schwesinger, Thomas Breuer, Peeter Burk, Koit Herodes, Ivar Koppel, Ivo Leito, and Masaaki Mishima. Intrinsic Basicities of Phosphorus Imines and Ylides: A Theoretical Study. J.Phys.Chem. A, 105 (41), 2001, pp. 9575-9586.

Jaana Tammiku, Peeter Burk, and Ants Tuulmets. 1,10-Phenanthroline and its Complexes with Magnesium Compounds. Disproportionation Equilibria. J.Phys.Chem. A, 105 (37), 2001, pp. 8554-8561.

Olga Tshubrik, Peeter Burk, Tõnis Pehk, and Uno Mäeorg. Conformational analysis of 1-acetyl-2-methylhydrazine. THEOCHEM, 546, 2001, pp. 119-125.

Peeter Burk and Kaido Sillar. Acidity Of Saturated Hydrocarbons. THEOCHEM, 535, 2001, pp. 73-85.

Peeter Burk, Kaido Sillar, and Ilmar A. Koppel. Gas-Phase Basicities and Proton Affinities of Alkali Metal Oxides and Hydroxides. A Theoretical Study. THEOCHEM, 543, 2001, pp. 223-231.

Peeter Burk, Uldo Mölder, and Kaido Tämm. Phosphorus-carbon diad tautomerism in phosphonium compounds. Theoretical study. Proc. Estonian Acad.Sci.Chem., 50 (4), 2001, pp. 241-253.

Uldo Mölder, Peeter Burk, and Ilmar A. Koppel. Quantum chemical calculations of geometries and gas-phase deprotonation energies of linear polyyne chains. Int. J. Quant. Chem., 82 (2), 2001, pp. 73-85.

Ilmar A. Koppel, Peeter Burk, Ivar Koppel, Ivo Leito, Takaaki Sonoda, and Masaaki Mishima. Gas-Phase Acidities of Some Neutral Brønsted Superacids: A DFT and ab Initio Study. J. Am. Chem.Soc., 122 (21), 2000, pp. 5114-5124.

Jaana Tammiku, Peeter Burk, and Ants Tuulmets. UV-VIS Spectrum of 1,10-Phenathroline-Ethylmagnesium Bromide Complex. An Experimental and Computational Study. Main Group Metal Chemistry, 23 (5), 2000, pp. 301-305.

Peeter Burk and Paul von Rague Schleyer. Why are carboxylic acids stronger acids than alcohols? The electrostatic theory of Siggel-Thomas revisited. THEOCHEM, 505, 2000, pp. 161-167.

Peeter Burk, Ilmar A. Koppel, Alar Rummel, and Aleksander Trummal. Can O-H acid be more acidic than its S-H analog? A G2 study of fluoromethanols and fluoromethylthiols. J. Phys. Chem. A, 104 (7), 2000, pp. 1602-1607.

Peeter Burk, Ilmar A. Koppel, Ivar Koppel, Ivo Leito, and Oksana Travnikova. Critical Test of Performance of B3LYP Functional for Prediction of Gas-Phase Acidities and Basicities. Chem. Phys. Lett., 323, 2000, pp. 482-489.

Peeter Burk, Ilmar A. Koppel, Ivar Koppel, Riho Kurg, Jean-Francois Gal, Pierre-Charles Maria, Marta Herreros, Rafael Notario, Jose-Luis M. Abboud, Frederick Anvia, and Robert W. Taft. Revised and Expanded Scale of Gas-Phase Lithium-Cation Basicities. An Experimental and Theoretical Study. J.Phys.Chem. A, 104 (12), 2000, pp. 2824-2833.

Sirje Mäeorg, Peeter Burk, and Uno Mäeorg. Comparative Calculations of Molecular Vibrations of Some Acetylenic Compounds. Proc.Estonian Acad.Sci.Chem., 49 (4), 2000, pp. 240-243.

Uldo Mölder, Ilmar A. Koppel, Peeter Burk, and Rein Pikver. Photoelectron Spectra of Molecules. II. Carboxylic Acids and Their Esters. Int.J.Quant. Chem., 62 (3), 1997, pp. 303-314.

Urmas Muinasmaa, Peeter Burk, and Jaan Pentchuk. Complexes Between Divalent Metals and Carboxylic Acids: Semiempirical and Ab Initio Study. Int.J.Quant. Chem., 62 (6), 1997, pp. 653-658.

Peeter Burk, Ilmar A. Koppel, Ivar Koppel, Lev M. Yagupolskii, and Robert W. Taft. Superacidity of neutral Brönsted acids in gas phase. PM3 study. J.Comp.Chem., 17 (1), 1996, pp. 30-41.

Peeter Burk, Jose-Luis M. Abboud, and Ilmar A. Koppel. Aromaticity of Substituted Cyclopropenes: A Theoretical Study. J.Phys.Chem., 100 (17), 1996, pp. 6992-6997.

Peeter Burk, Uldo Mölder, Ilmar A. Koppel, Alar Rummel, and Aleksander Trummal. Theoretical Study of Dimethylsulfoxide-Anion Clusters. J.Phys.Chem., 100 (40), 1996, pp. 16137-16140.

Peeter Burk, Ilmar A. Koppel, Alar Rummel, and Aleksander Trummal. Theoretical Calculation of Intrinsic Acidity and Basicity of FOH. J.Phys.Chem., 99 (5), 1995, pp. 1432-1435.

Vladislav M. Vlasov, Ilmar A. Koppel, Peeter Burk, and Ivar Koppel. Quantitative Description of Acidity of XOH Compounds in Gas Phase and Dimethyl Sulfoxide with Use of HOMO Energies of XO-Anions. J.Phys.Org.Chem., 8, 1995, pp. 364-370.

Peeter Burk and Ilmar A. Koppel. Theoretical study of structure and basicity of some alkali metal oxides, hydroxides and amides. Int.J.Quant.Chem., 51, 1994, pp. 313-318.

Peeter Burk, Ilmar A. Koppel, Jüri Tapfer, Frederick Anvia, and Robert W. Taft. Theoretical Study of Prototropic Tautomerism and Acidity of Tris(fluorosulfonyl)methane. THEOCHEM, 315, 1994, pp. 191-196.

Peeter Burk and Ilmar A. Koppel. An AM1 and PM3 Study of Hexafluoroacetylacetone: Molecular Structure and Keto-Enol Tautomerism. THEOCHEM, 282, 1993, pp. 277-282.

Peeter Burk and Ilmar A. Koppel. Critical Test of PM3 Calculated Gas-Phase Acidities. Theor.Chim.Acta, 286, 1993, pp. 417-427.

Peeter Burk, Koit Herodes, Ivar Koppel, and Ilmar A. Koppel. Critical Test of PM3 Calculated Proton Affinities. Int.J.Quantum Chem.: Quantum Chem. Symp., 27, 1993, pp. 633-641.

Peeter Burk and Mati Karelson. Critical Test of the Validity of ZDO Semiempirical Methods for Hydrogen-Bonded Systems. Proc.Estonian Acad.Sci.Chem., 40 (2), 1991, pp. 104-117.

Peeter Burk and Mati Karelson. Self-Consistent Reaction Field of an Ionic Atmosphere. Proc.Estonian Acad.Sci.Chem., 40 (2), 1991, pp. 118-121.

viimati muudetud: 15.12.2005

Curriculum Vitae (CV)
1.First Name Peeter
2.Surname Burk
3.Institution Tartu University, Institute of Chemical Physics
4.Position Professor, Dean
5.Date of birth 10.08.1965 (day.month.year)
6.Education higher (in chemistry), University of Tartu, 1994
Ph. D. (in chemistry), University of Tartu, 1994
7.Research and
professional experience		 1990 - 1994, graduate student, Institute of Chemical Physics, Tartu University
1993 september - 1994 april , chemist, Institute of Chemical Physics, Tartu University .
1994 , lecturer, Institute of Chemical Physics, Tartu University
September 1994 - 2003, associate professor, Institute of Chemical Physics, Tartu University
1996, A. v. Humboldt Scholar (with prof. P.v.R. Schleyer), Institute of Organic Chemistry I, University Erlangen-Nürnberg, Germany
1997 - 2001 principal investigator, Centre of Strategical Competence, Tartu University
1998 - visiting professor, University of Nice, France
2001 - 2003 keeper of the chair of Chemical Physics, Tartu University
2003 - professor of Chemical Physics, Tartu University
2004 - Dean of the Faculty of Physics and Chemistry
8.Academic degree Ph. D.
9.Dates and sites of
earning the degrees		 University of Tartu, 1994
10.Honours/awards Estonian State Scientific Prize in Chemistry and Molecular Biology, 1997
11.Research-administrative
experience		 Member of the Estonian Science Foundation Expert Comission for Chemistry and Molecular Biology

Member of the committee for evaluation of the Estonian Ministry of Education and Research contest of students scientific works
12.Supervised dissertations

Imbi Rauk, MSc, 2005, superv. Peeter Burk, Tarmo Tamm. Polüpürrooli pentameeri dikatiooni ja mõningate anioonide vaheliste interaktsioonide võrdlev poolempiiriline, ab initio ja DFT uurimus. TÜ

Martin Kutsar, MSc, 2005, superv. Peeter Burk. Komplekseerumisentalpiad Lewisi aluste ja BF3 vahel: mõnede arvutuskeemia meetodite võrdlus. TÜ

Kaido Sillar, PhD, 2004, superv. Peeter Burk. Computational Study of the Acid Sites in Zeolite ZSM-5. TÜ

Jaana Tammiku-Taul, PhD, 2003, superv. Peeter Burk, Ants Tuulmets. Quantum Chemical Study of the Properties of Grignard Reagents. TÜ

Sven Tamp, MSc, 2003, superv. Peeter Burk. Leelismetallide oksiidide ja hüdroksiidide teoreetiline uurimine. TÜ

Ivar Koppel, PhD, 2001, superv. Peeter Burk, Ilmar Koppel. Quantum Chemical Study of Acidity of Strong and Superstrong Brønsted Acids. TÜ

Kaido Tämm, MSc, 2001, superv. Peeter Burk. Prototroopne tautomerism fosfooniumühendites. TÜ

Alar Rummal, MSc, 2000, superv. Peeter Burk, Ilmar Koppel. The Quantum Chemical Study of Acidity of Fluomethanols and –thiols. TÜ

Aleksander Trummal, MSc, 2000, superv. Peeter Burk, Ilmar Koppel. The Quantum Chemical Study of Clusters between DMSO and Anions. TÜ

Jaana Tammiku, MSc, 2000, superv. Peeter Burk, Ants Tuulmets. 1,10-Phenanthroline and Its Complexes with Magnesium Compounds. TÜ

Kaido Sillar, MSc, 2000, superv. Peeter Burk. The Factors Controlling Gas-Phase Acidity of Alkanes. TÜ

Sirje Mäeorg, MSc, 2000, superv. Peeter Burk, Uno Mäeorg. Interpretation of stretching vibrations of CC-triple bonds. TÜ

Ivar Koppel, MSc, 1997, superv. Peeter Burk, Ilmar Koppel. The Quantum Chemical Study of Acidity of Neutral Brønsted Superacids. TÜ

Urmas Muinasmaa, MSc, 1997, superv. Peeter Burk, Jaan Pentchuk. The Quantum Chemical Study of Stability of Metallocomplexes. TÜ
13.Current research program Acid-base equillibria
Tautomeric (keto-enol) equillibria
Complex formation equillibria
Modelling of solvent effects
Quantum chemical investigations of metal complexes
Zeolite chemistry
Photo-electron spectra of organic molecules
14.Current grant funding ETF Grant 5196 "Alkaki Metal Ion Affinities in the Gas Phase "
Estonian Ministry of Education and Research, target financed project "Complexation equilibria between alkali metal cations and Lewis bases"
15.List of most important publications

Peeter Burk, Imbi Rauk, Tarmo Tamm. Comparative semiempirical, ab initio, and DFT study of interactions between polypyrrole pentamer dication and some anions. Proceedings of the Estonian Academy of Sciences, Chemistry, 54 (2), 2005, 85-93.

Peeter Burk, Martin Kutsar. Comparative calculations of complexation enthalpies between Lewis bases ana boron trifluoride. Proceedings of the Estonian Academy of Sciences, Chemistry, 54 (3), 2005, 154-164.

Peeter Burk, Sven Tamp, Jaana Tammiku-Taul, Pieree-Charles Maria, Jean-Francois Gal. Computational study of cesium cation-humic substance interactions. A neutral analogue ligand molecules approach. Proceedings of the Estonian Academy of Sciences, Chemistry, 54 (2), 2005, 70-84.

Pierre-Charles Maria, Jean-Francois Gal, Lionel Massi, Peeter Burk, Jaana Tammiku-Taul ja Sven Tamp. Investigations of cluster ions formed between cesium cations and benzoic, salicylic and phthalic acids by electrospray mass spectrometry and density-functional theory calculations. Toward a modeling of the interaction of Cs+ with humic substances. Rapid Comm. Mass Spectrom. 19, 2005, 568-573.

Ants Tuulmets, Jaana Tammiku-Taul, and Peeter Burk. Computational study of Grignard reaction with alkynes. J. Mol. Struct. (THEOCHEM), 674, 2004, pp. 233-239.

Jaana Tammiku-Taul, Peeter Burk, and Ants Tuulmets. Theoretical Study of Magnesium Compounds: The Schlenk Equilibrium in Gas Phase and in the Presence of Et2O and THF Molecules. J. Phys. Chem. A, 108 (1), 2004, pp. 133-139.

José-Luis M. Abboud, Ibon Alkorta, Peeter Burk, Juan Z. Dávalos, Esther Quintanilla, Ernest W. Della, Ilmar A. Koppel ja Ivar Koppel. The enormous apparent gas-phase acidity of cubylamine. Chem. Phys. Lett. 398 (4-6), 2004, 560-563.

Kaido Sillar and Peeter Burk. Computational study of vibrational frequencies of bridging hydroxyl groups in zeolite ZSM-5. Chem. Phys. Lett., 393 (4-6), 2004, pp. 285-289.

Kaido Sillar and Peeter Burk. Hybrid Quantum Chemical and Density Functional Theory (ONIOM) Study of the Acid Sites in Zeolite ZSM-5. J. Phys. Chem. B, 108 (28), 2004, pp. 9893 - 9899.

Kaido Tämm, Dan C. Fara, Alan R. Katritzky, Peeter Burk, and Mati Karelson. A Quantitative Structure - Property Relationship Study of Lithium Cation Basicities. J. Phys. Chem. A, 108 (21), 2004, pp. 4812-4818.

Uldo Mölder, Peeter Burk ja Ilmar A. Koppel. Quantum chemical calculations of linear cumulene chains. J. Mol. Struct. THEOCHEM 712 (1-3), 2004, 81-89.

Jose-Luis M. Abboud, Ilmar A. Koppel, Ibon Alkorta, Ernest W. Della, Paul Müller, Juan Z. Davalos, Peeter Burk, Ivar Koppel, Viljer Pihl, and Esther Quintanilla. Stereoelectronic, Strain, and Medium Effects on the Protonation of Cubylamine, a Janus-like Base. Angew. Chem. Int. Ed., 42 (20), 2003, pp. 2281-2285.

José-Luis M. Abboud, Ilmar A. Koppel, Juan Z. Dávalos, Peeter Burk, Ivar Koppel, and Esther Quintanilla. Protonation of Cubane in the Gas Phase: A High-Level Ab Initio and DFT Study. Angew. Chem. Int. Ed., 42 (9), 2003, pp. 1044-1046.

Peeter Burk and Sven Tamp. A theoretical study of gas-phase basicities and proton affinities af alkali metal oxides and hydroxides. THEOCHEM, 638, 2003, pp. 119-128.

Ants Tuulmets, Vello Pällin, Jaana Tammiku-Taul, Peeter Burk, and Kristiina Raie. Solvent effects in the Grignard reaction with alkynes. J. Phys. Org. Chem., 15, 2002, pp. 701-705.

Ilmar A. Koppel, Peeter Burk, Ivar Koppel, and Ivo Leito. Generalized Principle of Designing Neutral Superstrong Brönsted Acids. J. Am. Chem. Soc., 124 (19), 2002, pp. 5594-5600.

Kaido Sillar and Peeter Burk. Calculation of the properties of acid sites of the zeolite ZSM-5 using ONIOM method. THEOCHEM, 589, 2002, pp. 281-290.

Uldo Mölder, Rein Pikver, Ivar Koppel, Peeter Burk, and Ilmar A. Koppel. Photoelectron spectra of molecules. Part 12. Vinyl, allyl, and phenyl ethers and sulphides. THEOCHEM, 579, 2002, pp. 205-220.

Urmas Pille, Koit Herodes, Ivo Leito, Peeter Burk, Viljar Pihl ja Ilmar Koppel. Solvatochromism of fullerene C60 in solvent mixtures: application of the preferential solvation model. Proc. Estonian Acad. Sci. Chem. 51 (1), 2002, 3-18.

Ilmar A. Koppel, Reinhard Schwesinger, Thomas Breuer, Peeter Burk, Koit Herodes, Ivar Koppel, Ivo Leito, and Masaaki Mishima. Intrinsic Basicities of Phosphorus Imines and Ylides: A Theoretical Study. J.Phys.Chem. A, 105 (41), 2001, pp. 9575-9586.

Jaana Tammiku, Peeter Burk, and Ants Tuulmets. 1,10-Phenanthroline and its Complexes with Magnesium Compounds. Disproportionation Equilibria. J.Phys.Chem. A, 105 (37), 2001, pp. 8554-8561.

Olga Tshubrik, Peeter Burk, Tõnis Pehk, and Uno Mäeorg. Conformational analysis of 1-acetyl-2-methylhydrazine. THEOCHEM, 546, 2001, pp. 119-125.

Peeter Burk and Kaido Sillar. Acidity Of Saturated Hydrocarbons. THEOCHEM, 535, 2001, pp. 73-85.

Peeter Burk, Kaido Sillar, and Ilmar A. Koppel. Gas-Phase Basicities and Proton Affinities of Alkali Metal Oxides and Hydroxides. A Theoretical Study. THEOCHEM, 543, 2001, pp. 223-231.

Peeter Burk, Uldo Mölder, and Kaido Tämm. Phosphorus-carbon diad tautomerism in phosphonium compounds. Theoretical study. Proc. Estonian Acad.Sci.Chem., 50 (4), 2001, pp. 241-253.

Uldo Mölder, Peeter Burk, and Ilmar A. Koppel. Quantum chemical calculations of geometries and gas-phase deprotonation energies of linear polyyne chains. Int. J. Quant. Chem., 82 (2), 2001, pp. 73-85.

Ilmar A. Koppel, Peeter Burk, Ivar Koppel, Ivo Leito, Takaaki Sonoda, and Masaaki Mishima. Gas-Phase Acidities of Some Neutral Brønsted Superacids: A DFT and ab Initio Study. J. Am. Chem.Soc., 122 (21), 2000, pp. 5114-5124.

Jaana Tammiku, Peeter Burk, and Ants Tuulmets. UV-VIS Spectrum of 1,10-Phenathroline-Ethylmagnesium Bromide Complex. An Experimental and Computational Study. Main Group Metal Chemistry, 23 (5), 2000, pp. 301-305.

Peeter Burk and Paul von Rague Schleyer. Why are carboxylic acids stronger acids than alcohols? The electrostatic theory of Siggel-Thomas revisited. THEOCHEM, 505, 2000, pp. 161-167.

Peeter Burk, Ilmar A. Koppel, Alar Rummel, and Aleksander Trummal. Can O-H acid be more acidic than its S-H analog? A G2 study of fluoromethanols and fluoromethylthiols. J. Phys. Chem. A, 104 (7), 2000, pp. 1602-1607.

Peeter Burk, Ilmar A. Koppel, Ivar Koppel, Ivo Leito, and Oksana Travnikova. Critical Test of Performance of B3LYP Functional for Prediction of Gas-Phase Acidities and Basicities. Chem. Phys. Lett., 323, 2000, pp. 482-489.

Peeter Burk, Ilmar A. Koppel, Ivar Koppel, Riho Kurg, Jean-Francois Gal, Pierre-Charles Maria, Marta Herreros, Rafael Notario, Jose-Luis M. Abboud, Frederick Anvia, and Robert W. Taft. Revised and Expanded Scale of Gas-Phase Lithium-Cation Basicities. An Experimental and Theoretical Study. J.Phys.Chem. A, 104 (12), 2000, pp. 2824-2833.

Sirje Mäeorg, Peeter Burk, and Uno Mäeorg. Comparative Calculations of Molecular Vibrations of Some Acetylenic Compounds. Proc.Estonian Acad.Sci.Chem., 49 (4), 2000, pp. 240-243.

Uldo Mölder, Ilmar A. Koppel, Peeter Burk, and Rein Pikver. Photoelectron Spectra of Molecules. II. Carboxylic Acids and Their Esters. Int.J.Quant. Chem., 62 (3), 1997, pp. 303-314.

Urmas Muinasmaa, Peeter Burk, and Jaan Pentchuk. Complexes Between Divalent Metals and Carboxylic Acids: Semiempirical and Ab Initio Study. Int.J.Quant. Chem., 62 (6), 1997, pp. 653-658.

Peeter Burk, Ilmar A. Koppel, Ivar Koppel, Lev M. Yagupolskii, and Robert W. Taft. Superacidity of neutral Brönsted acids in gas phase. PM3 study. J.Comp.Chem., 17 (1), 1996, pp. 30-41.

Peeter Burk, Jose-Luis M. Abboud, and Ilmar A. Koppel. Aromaticity of Substituted Cyclopropenes: A Theoretical Study. J.Phys.Chem., 100 (17), 1996, pp. 6992-6997.

Peeter Burk, Uldo Mölder, Ilmar A. Koppel, Alar Rummel, and Aleksander Trummal. Theoretical Study of Dimethylsulfoxide-Anion Clusters. J.Phys.Chem., 100 (40), 1996, pp. 16137-16140.

Peeter Burk, Ilmar A. Koppel, Alar Rummel, and Aleksander Trummal. Theoretical Calculation of Intrinsic Acidity and Basicity of FOH. J.Phys.Chem., 99 (5), 1995, pp. 1432-1435.

Vladislav M. Vlasov, Ilmar A. Koppel, Peeter Burk, and Ivar Koppel. Quantitative Description of Acidity of XOH Compounds in Gas Phase and Dimethyl Sulfoxide with Use of HOMO Energies of XO-Anions. J.Phys.Org.Chem., 8, 1995, pp. 364-370.

Peeter Burk and Ilmar A. Koppel. Theoretical study of structure and basicity of some alkali metal oxides, hydroxides and amides. Int.J.Quant.Chem., 51, 1994, pp. 313-318.

Peeter Burk, Ilmar A. Koppel, Jüri Tapfer, Frederick Anvia, and Robert W. Taft. Theoretical Study of Prototropic Tautomerism and Acidity of Tris(fluorosulfonyl)methane. THEOCHEM, 315, 1994, pp. 191-196.

Peeter Burk and Ilmar A. Koppel. An AM1 and PM3 Study of Hexafluoroacetylacetone: Molecular Structure and Keto-Enol Tautomerism. THEOCHEM, 282, 1993, pp. 277-282.

Peeter Burk and Ilmar A. Koppel. Critical Test of PM3 Calculated Gas-Phase Acidities. Theor.Chim.Acta, 286, 1993, pp. 417-427.

Peeter Burk, Koit Herodes, Ivar Koppel, and Ilmar A. Koppel. Critical Test of PM3 Calculated Proton Affinities. Int.J.Quantum Chem.: Quantum Chem. Symp., 27, 1993, pp. 633-641.

Peeter Burk and Mati Karelson. Critical Test of the Validity of ZDO Semiempirical Methods for Hydrogen-Bonded Systems. Proc.Estonian Acad.Sci.Chem., 40 (2), 1991, pp. 104-117.

Peeter Burk and Mati Karelson. Self-Consistent Reaction Field of an Ionic Atmosphere. Proc.Estonian Acad.Sci.Chem., 40 (2), 1991, pp. 118-121.

last updated: 15.12.2005

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