P. Burk

发表

Cesium cation affinities and basicities

J. Gal, P. Maria, L. Massi, 2007 .

Computational modeling of strained alkenes: Choosing the right computational model

J. Järv, P. Burk, Ott Kekišev, 2017 .

Critical Test of Some Computational Chemistry Methods for Prediction of Gas-Phase Acidities and Basicities.

P. Burk, E. Toomsalu, I. Koppel, 2013, Journal of chemical theory and computation.

A Quantitative Structure−Property Relationship Study of Lithium Cation Basicities

M. Karelson, A. Katritzky, P. Burk, 2004 .

Theoretical modeling of HPV: QSAR and novodesign with fragment approach.

M. Karelson, P. Burk, T. Tamm, 2014, Current computer-aided drug design.

Robust Modeling and Scaffold Hopping: Case Study Based on HIV Reverse Transcriptase Inhibitors Type-1 Data.

C. S. Panda, M. Karelson, A. Katritzky, 2016, Medicinal chemistry (Shariqah (United Arab Emirates)).

IEF-PCM calculations of absolute pKa for substituted phenols in dimethyl sulfoxide and acetonitrile solutions.

É. Lippmaa, A. Rummel, A. Trummal, 2009, The journal of physical chemistry. A.

A theoretical study of gas-phase basicities and proton affinities of alkali metal oxides and hydroxides

P. Burk, S. Tamp, 2003 .

Critical test of some computational methods for prediction of NMR 1H and 13C chemical shifts

P. Burk, E. Toomsalu, 2015, Journal of Molecular Modeling.

Quantum chemical calculations of linear cumulene chains

P. Burk, I. Koppel, U. Molder, 2004 .

Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8).

P. Burk, V. Borovkov, Sandra Kaabel, 2019, Chemical communications.

Computational study of the Sonogashira cross-coupling reaction in the gas phase and in dichloromethane solution

P. Burk, J. Tammiku-Taul, L. Sikk, 2012, Journal of Molecular Modeling.

Evaluation of alkali metal cation affinities and basicities using extrapolation to the complete basis set limit.

C. Mayeux, P. Burk, 2014, The journal of physical chemistry. A.

Theoretical study of structure and basicity of some alkali metal oxides, hydroxides, and amides

P. Burk, I. Koppel, 1994 .

NMR and DFT Study of the Copper(I)‐Catalyzed Cycloaddition Reaction: H/D Scrambling of Alkynes and Variable Reaction Order of the Catalyst

U. Mäeorg, P. Burk, J. Tammiku-Taul, 2016 .

Computational study of the copper-free Sonogashira cross-coupling reaction: shortcuts in the mechanism

P. Burk, J. Tammiku-Taul, L. Sikk, 2013 .

Computational Study of Copper-Free Sonogashira Cross-Coupling Reaction

P. Burk, J. Tammiku-Taul, L. Sikk, 2011 .

Theoretical Study of Magnesium Compounds: The Schlenk Equilibrium in the Gas Phase and in the Presence of Et2O and THF Molecules

P. Burk, J. Tammiku-Taul, A. Tuulmets, 2004 .

Gas phase acidities of N-substituted amine-boranes

P. Burk, J. Guillemin, A. Adamson, 2013, Journal of Molecular Modeling.

QSPR analysis for infinite dilution activity coefficients of organic compounds

P. Burk, K. Tämm, 2006, Journal of molecular modeling.

Effect of strain on gas-phase basicity of (E)-1-methyl-2-(1-methyl-2-adamantylidene)adamantane

D. Lenoir, J. Järv, P. Burk, 2015 .

Revised and Expanded Scale of Gas-Phase Lithium Cation Basicities. An Experimental and Theoretical Study

R. Taft, J. Abboud, J. Gal, 2000 .

Energetics and Structures of Adducts of JohnPhos(Au+), PPh3(Au+), and IPr(Au+) with Organic Substrates: A Mass Spectrometry and DFT Study

C. Iacobucci, J. Gal, L. Massi, 2021 .

Gas-Phase Acidities of Some Neutral Brønsted Superacids: A DFT and ab Initio Study

I. Leito, P. Burk, I. Koppel, 2000 .

Nonempirical Prediction of the Relative Electrospray Ionization Efficiencies of Nitroanilines by Combined CBS-QB3 and SCC-DFTB Calculations.

P. Burk, J. Tammiku-Taul, 2022, The journal of physical chemistry. A.

Computational study of the Grignard reaction with alkynes

P. Burk, J. Tammiku-Taul, A. Tuulmets, 2004 .

UV-VIS SPECTRUM OF THE 1,10-PHENANTHROLINE-ETHYLMAGNESIUM BROMIDE COMPLEX. AN EXPERIMENTAL AND COMPUTATIONAL STUDY

P. Burk, A. Tuulmets, Jaana Tammiku, 2000 .

Kinetic study of aza-amino acid incorporation into peptide chains: Influence of the steric effect of the side chain

J. Järv, H. Härk, P. Burk, 2022, Tetrahedron.

The basicity of substituted N,N-dimethylanilines in solution and in the gas phase †

I. Leito, P. Burk, I. Koppel, 2013 .

A Kinetic View of the Mechanism of the Grignard Reaction with Alkoxysilanes

P. Burk, D. Panov, A. Tuulmets, 2015 .

PHOSPHORUS–CARBON DIAD TAUTOMERISM IN PHOSPHONIUM COMPOUNDS. THEORETICAL STUDY

P. Burk, K. Tämm, 2001, Proceedings of the Estonian Academy of Sciences. Chemistry.

Solvent effects in the Grignard reaction with alkynes

P. Burk, J. Tammiku-Taul, A. Tuulmets, 2002 .

Quantum chemical calculations of geometries and gas‐phase deprotonation energies of linear polyyne chains

P. Burk, I. Koppel, U. Mlder, 2001 .

Photoelectron spectra of molecules. Part 12. Vinyl, allyl, and phenyl ethers and sulphides

P. Burk, I. Koppel, U. Molder, 2002 .

Gas-phase basicities around and below water revisited.

J. Abboud, I. Leito, J. Dávalos, 2010, The journal of physical chemistry. A.

Relativistic effects on acidities and basicities of Brønsted acids and bases containing gold.

P. Burk, I. Koppel, I. Koppel, 2013, Physical chemistry chemical physics : PCCP.

Critical test of performance of B3LYP functional for prediction of gas-phase acidities and basicities

I. Leito, O. Travnikova, P. Burk, 2000 .

Intrinsic Basicities of Phosphorus Imines and Ylides: A Theoretical Study

P. Burk, I. Koppel, K. Herodes, 2001 .

Hybrid quantum chemical and density functional theory (ONIOM) study of the acid sites in zeolite ZSM-5

Peeter Burk, P. Burk, Kaido Sillar, 2004 .

Photoelectron spectra of molecules. II. Carboxylic acids and their esters

P. Burk, I. Koppel, U. Molder, 1997 .

Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform

Andreas Tsoumanis, Georgia Melagraki, Antreas Afantitis, 2020, Nanomaterials.

Computational study of vibrational frequencies of bridging hydroxyl groups in zeolite ZSM-5

P. Burk, Kaido Sillar, 2004 .

Conformational analysis of 1-acetyl-2-methylhydrazine

U. Mäeorg, P. Burk, T. Pehk, 2001 .

A study of the cesium cation bonding to carboxylate anions by the kinetic method and quantum chemical calculations.

L. Charles, J. Gal, P. Maria, 2010, Journal of mass spectrometry : JMS.

Acidity of saturated hydrocarbons

P. Burk, Kaido Sillar, 2001 .

Catalytic effect of cesium cation adduct formation on the decarboxylation of carboxylate ions in the gas phase.

L. Charles, J. Gal, L. Massi, 2014, Chemistry.

Critical test of PM3 calculated gas-phase acidities

Peeter Burk, Ilmar A. Koppel, P. Burk, 1993 .

Critical test of PM3‐calculated proton affinities

Koit Herodes, Peeter Burk, Ilmar A. Koppel, 1993 .

Interaction of the cesium cation with mono-, di-, and tricarboxylic acids in the gas phase. A Cs+ affinity scale for cesium carboxylates ion pairs

J. Gal, P. Maria, L. Massi, 2009, Journal of the American Society for Mass Spectrometry.

Bonding energetics in clusters formed by cesium salts: a study by collision-induced dissociation and density functional theory.

J. Gal, P. Maria, L. Massi, 2006, Rapid communications in mass spectrometry : RCM.

P-substituted phosphine–boranes: Gas phase acidities, basicities and dihydrogen release. A comparison to amine–boranes

P. Burk, A. Adamson, 2014 .

Superacidity of neutral Brönsted acids in gas phase

R. Taft, P. Burk, I. Koppel, 1996 .

Quantitative description of acidity of XOH compounds in the gas phase and dimethyl sulphoxide with use of HOMO energies of XO− anions

V. M. Vlasov, P. Burk, I. Koppel, 1995 .

Aromaticity of Substituted Cyclopropenes - A Theoretical-Study

J. Abboud, P. Burk, I. Koppel, 1996 .

Relative stability and proton transfer reactions of unsaturated isocyanides and cyanides

P. Burk, J. Guillemin, I. Kaljurand, 2016 .

The enormous apparent gas-phase acidity of cubylamine

E. W. Della, J. Abboud, J. Dávalos, 2004 .

Why are carboxylic acids stronger acids than alcohols? The electrostatic theory of Siggel–Thomas revisited

P. Schleyer, P. Burk, 2000 .

Alkali Metal Cations Bonding to Carboxylate Anions: Studies by Mass Spectrometry and Quantum Chemical Calculations.

I. Leito, L. Massi, C. Mayeux, 2020, The journal of physical chemistry. A.

Interaction between the Cesium Cation and Cesium Carboxylates: An Extended Cs+ Basicity Scale.

J. Gal, L. Massi, C. Mayeux, 2013, ChemPlusChem.

Bonding between the cesium cation and substituted benzoic acids or benzoate anions in the gas phase: A density functional theory and mass spectrometric study

J. Gal, P. Maria, L. Massi, 2009 .

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.

J. Gal, P. Maria, L. Massi, 2005, Rapid communications in mass spectrometry : RCM.

Stereoelectronic, strain, and medium effects on the protonation of cubylamine, a Janus-like base.

E. W. Della, J. Abboud, J. Dávalos, 2003, Angewandte Chemie.

An AM1 and PM3 study of hexafluoroacetylacetone

P. Burk, I. Koppel, 1993 .

Theoretical study of gas-phase acid-base equilibria

P. Burk, 1994 .

Theoretical study of prototropic tautomerism and acidity of tris(fluorosulfonyl)methane

P. Burk, I. Koppel, F. Anvia, 1994 .

Protonation of cubane in the gas phase: a high-level Ab initio and DFT study.

J. Abboud, J. Dávalos, P. Burk, 2003, Angewandte Chemie.

Computational study of cesium cation interactions with neutral and anionic compounds related to soil organic matter.

J. Gal, P. Maria, C. Mayeux, 2009, The journal of physical chemistry. A.

Gas-Phase Lithium Cation Basicity: Revisiting the High Basicity Range by Experiment and Theory

I. Leito, J. Gal, C. Mayeux, 2014, Journal of The American Society for Mass Spectrometry.

Aromaticity of Substituted Cyclopropenes: A Theoretical Study

J. Abboud, P. Burk, I. Koppel, 1996 .

Dihydrogen generation from amine/boranes: synthesis, FT-ICR, and computational studies.

Jean-Claude Guillemin, Eva Roos Nerut, Peeter Burk, 2012, Chemistry.

Theoretical modeling of sensitivity factors of Bayard-Alpert ionization gauges

J. Gal, C. Mayeux, P. Burk, 2013 .

Gas-phase basicities and proton affinities of alkali metal oxides and hydroxides. A theoretical study

P. Burk, I. Koppel, Kaido Sillar, 2001 .

DFT study of 2,9-bis(1,2,4-triazin-3-yl)-1,10-phenanthroline (BTPhen) and its derivatives complexation with lanthanide series

P. Burk, K. Tämm, L. Sikk, 2020 .

Comparison of prominent methods for computational studies of lanthanoid cation complexation

P. Burk, E. Toomsalu, K. Tämm, 2018 .

Calculation of the properties of acid sites of the zeolite ZSM-5 using ONIOM method

P. Burk, Kaido Sillar, 2002 .

Fe-Doped ZnO nanoparticle toxicity: assessment by a new generation of nanodescriptors.

Tarmo Tamm, Janeck J Scott-Fordsmand, Kaido Tämm, 2018, Nanoscale.

Adsorption of carbon monoxide on Li-ZSM-5: theoretical study of complexation of Li+ cation with two CO molecules.

P. Burk, Kaido Sillar, 2007, Physical chemistry chemical physics : PCCP.

An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.

Ralph Kühne, Lutz Mädler, Robert Rallo, 2017, Advances in experimental medicine and biology.

Strain criteria for alkenes: Two different manifestations

J. Järv, P. Burk, Ott Kekišev, 2020 .

Generalized principle of designing neutral superstrong Brønsted acids.

I. Leito, P. Burk, I. Koppel, 2002, Journal of the American Chemical Society.

Proton transfer reactions of hydrazine-boranes

P. Burk, J. Guillemin, A. Adamson, 2015 .

Parametrization of nanoparticles: development of full-particle nanodescriptors.

L Mädler, S. Pokhrel, L. Mädler, 2016, Nanoscale.

Acidity of anilines: calculations vs experiment.

I. Leito, P. Burk, I. Koppel, 2011, The journal of physical chemistry. A.

THEORETICAL STUDY OF DIMETHYL SULFOXIDE : ANION CLUSTERS

A. Rummel, A. Trummal, P. Burk, 1996 .

Fe-Doped ZnO nanoparticle toxicity: assessment by a new generation of nanodescriptors.

S. Soenen, J. Scott-Fordsmand, P. Burk, 2018, Nanoscale.

Interaction of the cesium cation with mono-, di-, and tricarboxylic acids in the gas phase. A Cs+ affinity scale for cesium carboxylates ion pairs

J. Gal, P. Maria, L. Massi, 2009, Journal of the American Society for Mass Spectrometry.

A study of the cesium cation bonding to carboxylate anions by the kinetic method and quantum chemical calculations.

L. Charles, J. Gal, P. Maria, 2010, Journal of mass spectrometry : JMS.