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Comparison of prominent methods for computational studies of lanthanoid cation complexation.
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- Proceedings of the Estonian Academy of Sciences, 2018, v. 67, n. 1, p. 106, doi. 10.3176/proc.2018.1.06
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- Article
Computational study of the copper-free Sonogashira cross-coupling reaction: shortcuts in the mechanism.
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- Proceedings of the Estonian Academy of Sciences, 2013, v. 62, n. 2, p. 133, doi. 10.3176/proc.2013.2.07
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- Article
NMR and DFT Study of the Copper(I)-Catalyzed Cycloaddition Reaction: H/D Scrambling of Alkynes and Variable Reaction Order of the Catalyst.
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- ChemCatChem, 2016, v. 8, n. 10, p. 1804, doi. 10.1002/cctc.201600176
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- Article
Critical test of some computational methods for prediction of NMR <sup>1</sup>H and <sup>13</sup>C chemical shifts.
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- Journal of Molecular Modeling, 2015, v. 21, n. 9, p. 1, doi. 10.1007/s00894-015-2787-x
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- Article
Gas phase acidities of N-substituted amine-boranes.
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- Journal of Molecular Modeling, 2013, v. 19, n. 11, p. 5089, doi. 10.1007/s00894-013-2001-y
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- Article
Computational study of the Sonogashira cross-coupling reaction in the gas phase and in dichloromethane solution.
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- Journal of Molecular Modeling, 2012, v. 18, n. 7, p. 3025, doi. 10.1007/s00894-011-1311-1
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- Article
Feasibility of the spontaneous gas-phase proton transfer equilibria between neutral Brønsted acids and Brønsted bases.
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- Journal of Physical Organic Chemistry, 2008, v. 21, n. 7/8, p. 571, doi. 10.1002/poc.1322
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- Article
Quantitative description of acidity of XOH compounds in the gas phase and dimethyl sulphoxide with use of HOMO energies of XO<sup>−</sup> anions.
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- Journal of Physical Organic Chemistry, 1995, v. 8, n. 5, p. 364, doi. 10.1002/poc.610080509
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- Article
Proton and Lithium Cation Binding to Some β-Dicarbonyl Compounds. A Theoretical Study.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 71
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- Article
Computational modeling of strained alkenes: Choosing the right computational model.
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- International Journal of Quantum Chemistry, 2017, v. 117, n. 22, p. n/a, doi. 10.1002/qua.25439
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- Article
Comparative calculations of alkali metal cation basicities of some Lewis bases.
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- Proceedings of the Estonian Academy of Sciences, Chemistry, 2007, v. 56, n. 3, p. 107
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- Article
Comparative calculations of complexion enthalpies between Lewis bases and borontrifluoride.
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- Proceedings of the Estonian Academy of Sciences, Chemistry, 2005, v. 54, n. 3, p. 154, doi. 10.3176/chem.2005.3.04
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- Article
Comparative semiempirical, ab initio, and DFT study of interactions between polypyrrole pentamer dication and some anions.
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- Proceedings of the Estonian Academy of Sciences, Chemistry, 2005, v. 54, n. 2, p. 85, doi. 10.3176/chem.2005.2.04
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- Article
Computational study of cesium cation-humic substance interactions. A neutral analogue ligand molecules approach.
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- Proceedings of the Estonian Academy of Sciences, Chemistry, 2005, v. 54, n. 2, p. 70, doi. 10.3176/chem.2005.2.03
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- Article
Preface.
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- Proceedings of the Estonian Academy of Sciences, Chemistry, 2005, v. 54, n. 2, p. 59, doi. 10.3176/chem.2005.2.01
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- Article
PHOSPHORUS--CARBON DIAD TAUTOMERISM IN PHOSPHONIUM COMPOUNDS. THEORETICAL STUDY.
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- Proceedings of the Estonian Academy of Sciences, Chemistry, 2001, v. 50, n. 4, p. 241, doi. 10.3176/chem.2001.4.06
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- Article
Solvatochromism of fullerene C60 in solvent mixtures: application of the preferential solvation model.
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- Proceedings of the Estonian Academy of Sciences, Chemistry, 2002, v. 51, n. 1, p. 3
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- Article
Complexes between divalent metals and carboxylic acids: Semiempirical study.
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- International Journal of Quantum Chemistry, 1996, v. 62, n. 6, p. 653, doi. 10.1002/(SICI)1097-461X(1997)62:6<653::AID-QUA8>3.0.CO;2-V
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- Article
Theoretical study of structure and basicity of some alkali metal oxides, hydroxides, and amides.
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- International Journal of Quantum Chemistry, 1994, v. 51, n. 5, p. 313, doi. 10.1002/qua.560510507
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- Article
Critical test of.
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- International Journal of Quantum Chemistry, 1993, v. 48, n. S27, p. 633, doi. 10.1002/qua.560480857
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- Article
Bonding energetics in clusters formed by cesium salts: a study by collision-induced dissociation and density functional theory.
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- Rapid Communications in Mass Spectrometry: RCM, 2006, v. 20, n. 13, p. 2057, doi. 10.1002/rcm.2552
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- Article
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<sup>+</sup> with humic substances
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- Rapid Communications in Mass Spectrometry: RCM, 2005, v. 19, n. 4, p. 568, doi. 10.1002/rcm.1818
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- Article
Stereoelectronic, Strain, and Medium Effects on the Protonation of Cubylamine, a Janus-like Base ( This work was supported by grants BQU2000-1497 (Spanish DGES) and 5226 (Estonian Science Foundation) and by a Joint Project CSIC-Estonian Academy of Sciences. The Reactivity of the Strained Cage Molecules. )
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- Angewandte Chemie, 2003, v. 115, n. 20, p. 2383
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- Article
UV-VIS SPECTRUM OF THE 1,10-PHENANTHROLINE- ETHYLMAGNESIUM BROMIDE COMPLEX. AN EXPERIMENTAL AND COMPUTATIONAL STUDY.
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- Main Group Metal Chemistry, 2000, v. 23, n. 5, p. 301
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- Article
Interaction between the Cesium Cation and Cesium Carboxylates: An Extended Cs<sup>+</sup> Basicity Scale.
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- ChemPlusChem, 2013, v. 78, n. 9, p. 1195, doi. 10.1002/cplu.201300181
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- Article
Relative stability and proton transfer reactions of unsaturated isocyanides and cyanides.
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- Journal of Physical Organic Chemistry, 2016, v. 29, n. 9, p. 452, doi. 10.1002/poc.3562
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- Article
Effect of strain on gas-phase basicity of ( E)-1-methyl-2-(1-methyl-2-adamantylidene)adamantane.
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- Journal of Physical Organic Chemistry, 2015, v. 28, n. 7, p. 447, doi. 10.1002/poc.3435
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- Article
Proton transfer reactions of hydrazine-boranes.
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- Journal of Physical Organic Chemistry, 2015, v. 28, n. 4, p. 244, doi. 10.1002/poc.3401
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- Article
The basicity of substituted N, N-dimethylanilines in solution and in the gas phase The basicity of substituted N, N-dimethylanilines in solution and in the gas phase.
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- Journal of Physical Organic Chemistry, 2013, v. 26, n. 2, p. 171, doi. 10.1002/poc.2956
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- Article
Preface.
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- Journal of Physical Organic Chemistry, 2013, v. 26, n. 2, p. 78, doi. 10.1002/poc.3060
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- Publication type:
- Article
Stereoelectronic, Strain, and Medium Effects on the Protonation of Cubylamine, a Janus-like Base ( This work was supported by grants BQU2000-1497 (Spanish DGES) and 5226 (Estonian Science Foundation) and by a Joint Project CSIC-Estonian Academy of Sciences. The Reactivity of the Strained Cage Molecules. )
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- Angewandte Chemie International Edition, 2003, v. 42, n. 20, p. 2281, doi. 10.1002/anie.200350993
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- Article
Protonation of Cubane in the Gas Phase: A High-Level Ab Initio and DFT Study.
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- Angewandte Chemie International Edition, 2003, v. 42, n. 9, p. 1044, doi. 10.1002/anie.200390269
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- Article
Superacidity of neutral Brönsted acids in gas phase.
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- Journal of Computational Chemistry, 1996, v. 17, n. 1, p. 30, doi. 10.1002/(SICI)1096-987X(19960115)17:1<30::AID-JCC3>3.0.CO;2-1
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Reiner Salzer, Duncan Thorburn Burns, Lothar Beyer: Chemistry as a university degree – development and impact.
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- 2022
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- Book Review
Catalytic Effect of Cesium Cation Adduct Formation on the Decarboxylation of Carboxylate Ions in the Gas Phase.
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- Chemistry - A European Journal, 2014, v. 20, n. 3, p. 815, doi. 10.1002/chem.201303669
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- Article
Dihydrogen Generation from Amine/Boranes: Synthesis, FT-ICR, and Computational Studies.
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- Chemistry - A European Journal, 2012, v. 18, n. 13, p. 3981, doi. 10.1002/chem.201102611
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- Article
Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 10, p. 2017, doi. 10.3390/nano10102017
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- Article