Publications by authors named "Peeter Burk"

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Nonempirical Prediction of the Relative Electrospray Ionization Efficiencies of Nitroanilines by Combined CBS-QB3 and SCC-DFTB Calculations.
Jaana Tammiku-Taul, Peeter Burk

J Phys Chem A· December 2022

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Predicting Cytotoxicity of Metal Oxide Nanoparticles using Isalos Analytics Platform.
Anastasios G Papadiamantis, Jaak Jänes, Evangelos Voyiatzis, Lauri Sikk, Jaanus Burk, Peeter Burk

Nanomaterials (Basel)· October 2020

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Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8).
Lukas Ustrnul, Sandra Kaabel, Tatsiana Burankova, Jevgenija Martõnova, Jasper Adamson, Peeter Burk

Chem Commun (Camb)· November 2019

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Fe-Doped ZnO nanoparticle toxicity: assessment by a new generation of nanodescriptors.
Jaanus Burk, Lauri Sikk, Peeter Burk, Bella B Manshian, Stefaan J Soenen

Nanoscale· November 2018

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An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.
Martin Brehm, Alexander Kafka, Markus Bamler, Ralph Kühne, Gerrit Schüürmann, Jaanus Burk, Peeter Burk

Adv Exp Med Biol· October 2017

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Robust Modeling and Scaffold Hopping: Case Study Based on HIV Reverse Transcriptase Inhibitors Type-1 Data.
Girinath G Pillai, Laznier Mederos, Chandramukhi S Panda, Amber Gronski, Peeter Burk

Med Chem· July 2017

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Theoretical modeling of HPV: QSAR and novodesign with fragment approach.
Girinath G Pillai, Lauri Sikk, Tarmo Tamm, Mati Karelson, Peeter Burk

Curr Comput Aided Drug Des· November 2015

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Critical test of some computational methods for prediction of NMR ¹H and ¹³C chemical shifts.
Eve Toomsalu, Peeter Burk

J Mol Model· September 2015

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Gas-phase lithium cation basicity: revisiting the high basicity range by experiment and theory.
Charly Mayeux, Peeter Burk, Jean-Francois Gal, Ivari Kaljurand, Ilmar Koppel

J Am Soc Mass Spectrom· November 2014

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Evaluation of alkali metal cation affinities and basicities using extrapolation to the complete basis set limit.
Charly Mayeux, Peeter Burk

J Phys Chem A· March 2014

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Catalytic effect of cesium cation adduct formation on the decarboxylation of carboxylate ions in the gas phase.
Charly Mayeux, Lionel Massi, Jean-François Gal, Laurence Charles, Peeter Burk

Chemistry· January 2014

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Relativistic effects on acidities and basicities of Brønsted acids and bases containing gold.
Ilmar A Koppel, Peeter Burk, Kalev Kasemets, Ivar Koppel

Phys Chem Chem Phys· November 2013

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Gas phase acidities of N-substituted amine-boranes.
Aiko Adamson, Jean-Claude Guillemin, Peeter Burk

J Mol Model· November 2013

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Interaction between the Cesium Cation and Cesium Carboxylates: An Extended Cs Basicity Scale.
Charly Mayeux, Jaana Tammiku-Taul, Lionel Massi, Jean-François Gal, Peeter Burk

Chempluschem· September 2013

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Critical Test of Some Computational Chemistry Methods for Prediction of Gas-Phase Acidities and Basicities.
Eve Toomsalu, Ilmar A Koppel, Peeter Burk

J Chem Theory Comput· September 2013

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Computational study of the Sonogashira cross-coupling reaction in the gas phase and in dichloromethane solution.
Lauri Sikk, Jaana Tammiku-Taul, Peeter Burk, András Kotschy

J Mol Model· July 2012

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Dihydrogen generation from amine/boranes: synthesis, FT-ICR, and computational studies.
José-Luis M Abboud, Balázs Németh, Jean-Claude Guillemin, Peeter Burk, Aiko Adamson

Chemistry· March 2012

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Acidity of anilines: calculations vs experiment.
Lauri Lipping, Agnes Kütt, Karl Kaupmees, Ivar Koppel, Peeter Burk

J Phys Chem A· September 2011

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Gas-phase basicities around and below water revisited.
Ivo Leito, Ilmar A Koppel, Peeter Burk, Sven Tamp, Martin Kutsar

J Phys Chem A· October 2010

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Computational study on the reactivity of tetrazines toward organometallic reagents.
Krisztián Lorincz, András Kotschy, Jaana Tammiku-Taul, Lauri Sikk, Peeter Burk

J Org Chem· September 2010

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A study of the cesium cation bonding to carboxylate anions by the kinetic method and quantum chemical calculations.
Charly Mayeux, Jean-François Gal, Laurence Charles, Lionel Massi, Pierre-Charles Maria, Peeter Burk

J Mass Spectrom· May 2010

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Interaction of the cesium cation with mono-, di-, and tricarboxylic acids in the gas phase. A Cs+ affinity scale for cesium carboxylates ion pairs.
Charly Mayeux, Jaana Tammiku-Taul, Lionel Massi, Ene-Liis Lohu, Peeter Burk

J Am Soc Mass Spectrom· October 2009

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Computational study of cesium cation interactions with neutral and anionic compounds related to soil organic matter.
Peeter Burk, Jaana Tammiku-Taul, Sven Tamp, Lauri Sikk, Kaido Sillar

J Phys Chem A· October 2009

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IEF-PCM calculations of absolute pKa for substituted phenols in dimethyl sulfoxide and acetonitrile solutions.
Aleksander Trummal, Alar Rummel, Endel Lippmaa, Peeter Burk, Ilmar A Koppel

J Phys Chem A· May 2009

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

Phys Chem Chem Phys· February 2007

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