Theoretische Untersuchungen zur Basizität substituierter Pyridine

Keywords

MINDO, Pyridine, Interpretation (philosophy), Chemistry, Computational chemistry

References

• Isomere Diamino-alkoxy-pyridin-carbonitrile — ihre Trennung und Verwendung als KupplungskomponentenHans Junek, Georg Uray, Anna Kotzent — 1983
• Synthese und Fluoreszenzeigenschaften von cyansubstituierten 2-AminopyridinenGerald Koitz, Walter M. F. Fabian, Hans‐Werner Schmidt — 1981
• An abinitio study of protonation and alkylation of aminopyridineJacques Fossey, André Loupy, H. Strzelecka — 1981
• Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodRichard C. Bingham, Michael J. S. Dewar, Donald H. Lo — 1975
• Heterocyclic azo coupling componentsH. R. SCHWANDER — 1982
• A proton NMR analysis of the OCH3 group conformation in 2‐methoxypyridinesRubén H. Contreras, Julio C. Facelli, Dora G. de Kowalewski — 1982
• N1s core binding energies for 2-, 3-, and 4-substituted pyridines determined by X-ray photoelectron spectroscopy. Correlations with theoretical models, substituent parameters, and gas phase basicitiesR. S. Brown, A. Tse — 1980
• A Molecular Orbital Theory of Reactivity in Aromatic HydrocarbonsKenichi Fukui, Teijiro Yonezawa, Haruo Shingu — 1952
• Chemical reactivity and the concept of charge- and frontier-controlled reactionsGilles Klopman — 1968
• Theoretische Untersuchungen zum Absorptions- und Fluoreszenzverhalten cyanosubstituierter 2-aminopyridineWalter M. F. Fabian — 1981
• Correlations between core photoionization energies (EB1s) and gas-phase basicity. A general method for determining sites of protonation and intramolecular ion reorganization energiesJ. M. Buschek, Flemming Steen Jørgensen, R. S. Brown — 1982
• Methoxy group rotation in methoxyethene and methoxybenzeneMartin Klessinger, A. Zywietz — 1983
• A quantitative comparison of gas- and solution-phase basicities of substituted pyridinesDonald H. Aue, Hugh M. Webb, Michael T. Bowers — 1976
• Proton affinities and preferred protonation sites in 3- and 4-substituted pyridines. Prediction from 1s orbital energiesJavier Catalán, Otília Mó, Pilar Pérez — 1979
• The relationship between substituent-induced energy and charge effects in proton-transfer equilibriumsWarren J. Hehre, M. Taagepera, Robert W. Taft — 1981
• Analysis of the acidities of 3- and 4-substituted pyridinium and anilinium ionsM. Taagepera, Kim D. Summerhays, Warren J. Hehre — 1981
• Correlations between core photoionization energies (EB1s) and gas-phase basicity. A general method for determining sites of protonation and intramolecular ion reorganization energiesJ. M. Buschek, F. S. JOERGENSEN, R. S. Brown — 1982

Cited by

• Etherspaltung an Pyridinen mit ungewöhnlichem Halogenierungsverlauf zu isomeren Diamino-pyridon-carbonitrilen und ihre Verwendung als KupplungskomponentenHans Junek, Georg Uray, Anna Kotzent — 1985
• Synthesen mit Nitrilen, LXXXIV Farbe und Stereochemie von 3-(Cyanmethylen)-2-indolonenHans Junek, Renate Dworczak, H. Sterk — 1989
• Ring size effect on the proton affinity of cycloalkanones — a MINDO/3 theoretical studyWalter M. F. Fabian — 1987
• Ringöffnung von N‐(Tetraalkylamidinio)pyridinium‐Salzen durch Anionen methylenaktiver VerbindungenBernhard Feith, H.‐M. WEBER, Gerhard Maas — 1986
• THEORETICAL STUDIES ON THE BASICITY OF SUBSTITUTED PYRIDINESWalter M. F. Fabian — 1985

Related papers

• ChemInform Abstract: THE CALCULATION OF MONOCYCLIC MOLECULAR STRUCTURES USING MINDO/3Péter Felker, David M. Hayes, Leslie A. Hull — 1980
• The calculation of monocyclic molecular structures using MINDO/3Péter Felker, David M. Hayes, Leslie A. Hull — 1980
• Vertical Ionization Energies of Radicals by the Unrestricted MINDO/3 MethodYukiko Nakajima, Michihiko Ogata, Hiroshi Ichikawa — 1980
• The reliability of MINDO method for characterizing the transition state structures in radical addition reactionsRobert Ponec, Jaroslav Málek — 1982
• MINDO-Forces calculation of molecular geometries and reaction pathsSalim M. Khalil, Muthana Shanshal — 1977
• MINDO-Forces calculation of molecular geometries and reaction pathsSalim M. Khalil, Muthana Shanshal — 1977
• Calculations of p-alkyltoluenes and their radicalcations by the MINDO/3 methodV. V. VORONENKOV, V. N. Kokorev — 1990
• MINDO/3‐Rechnungen und PE‐Untersuchungen zur Reaktionsweise von AzabicyclenWolfgang Schmidt, Hans‐Joachim Ballschmidt, Martin Klessinger — 1983
• Zur Anwendbarkeit der Mindo/3-Methode auf die Untersuchung von Grundzustandsreaktionen / Ort the Applicability of the Mindo/3-Method for the Study of GroundstatereactionsJörg Fleischhauer — 1977