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Kass, Steven R. (1990) Hydrocarbon acidities calculated with MINDO/3, MNDO, and AM1. Journal of Computational Chemistry, 11 (1). 94-104 doi:10.1002/jcc.540110112

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Reference TypeJournal (article/letter/editorial)
TitleHydrocarbon acidities calculated with MINDO/3, MNDO, and AM1
JournalJournal of Computational Chemistry
AuthorsKass, Steven R.Author
Year1990 (January)Volume11
Issue1
PublisherWiley
DOIdoi:10.1002/jcc.540110112Search in ResearchGate
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Mindat Ref. ID3145486Long-form Identifiermindat:1:5:3145486:5
GUID0
Full ReferenceKass, Steven R. (1990) Hydrocarbon acidities calculated with MINDO/3, MNDO, and AM1. Journal of Computational Chemistry, 11 (1). 94-104 doi:10.1002/jcc.540110112
Plain TextKass, Steven R. (1990) Hydrocarbon acidities calculated with MINDO/3, MNDO, and AM1. Journal of Computational Chemistry, 11 (1). 94-104 doi:10.1002/jcc.540110112
In(1990, January) Journal of Computational Chemistry Vol. 11 (1) Wiley

See Also

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Karaman, Rafik, Huang, Jun-Tsu Luke, Fry, James L. (1991) Correlation of singlet-triplet gaps for aryl carbenes calculated by MINDO/3, MNDO, AM1, and PM3 with Hammett-type substituent constants. Journal of Computational Chemistry, 12 (5). 536-545 doi:10.1002/jcc.540120503
Karaman, Rafik, Huang, Jun-Tsu Luke, Fry, James L. (1990) Correlation of the acidity of substituted phenols, anilines, and benzoic acids calculated by MNDO, AM1, and PM3 with Hammett-type substituent constants. Journal of Computational Chemistry, 11 (9). 1009-1016 doi:10.1002/jcc.540110902
Voets, R., Fra?ois, J.-P., Martin, J. M. L., Mullens, J., Yperman, J., Van Poucke, L. C. (1990) Theoretical study of the proton affinities of 2-, 3-, and 4-monosubstituted phenolate ions in the gas phase by means of MINDO/3, MNDO, and AM1. Journal of Computational Chemistry, 11 (3). 269-290 doi:10.1002/jcc.540110302
Orozco, M., Luque, F. J. (1990) On the use of AM1 and MNDO wave functions to compute accurate electrostatic charges. Journal of Computational Chemistry, 11 (8). 909-923 doi:10.1002/jcc.540110803
Martin, J. M. L., François, J. P., Gijbels, R. (1991) A critical comparison of MINDO/3, MNDO, AM1, and PM3 for a model problem: Carbon clusters C2-C10. An ad hoc reparametrization of MNDO well suited for the accurate prediction of their spectroscopic constants. Journal of Computational Chemistry, 12 (1). 52-70 doi:10.1002/jcc.540120107
Frau, J., Donoso, J., Muñoz, F., Blanco, F. García (1992) Theoretical calculations of β-lactam antibiotics. III. AM1, MNDO, and MINDO/3 calculations of hydrolysis of β-lactam compound (azetidin-2-one ring). Journal of Computational Chemistry, 13 (6). 681-692 doi:10.1002/jcc.540130603
Boyd, Donald B., Smith, David W., Stewart, James J. P., Wimmer, Erich (1988) Numerical sensitivity of trajectories across conformational energy hypersurfaces from geometry optimized molecular orbital calculations: AM1, MNDO, and MINDO/3. Journal of Computational Chemistry, 9 (4). 387-398 doi:10.1002/jcc.540090414
Voets, R., François, J.-P., Martin, J. M. L., Mullens, J., Yperman, J., Van Poucke, L. C. (1989) Theoretical study of the proton affinities of 2-, 3-, and 4-monosubstituted pyridines in the gas phase by means of MINDO/3, MNDO, and AM1. Journal of Computational Chemistry, 10 (4). 449-467 doi:10.1002/jcc.540100403
Halim, Herman, Heinrich, Nikolaus, Koch, Wolfram, Schmidt, Jochen, Frenking, Gernot (1986) Mindo/3 and mndo calculations of closed- and open-shell cations containing C, H, N, and O. Journal of Computational Chemistry, 7 (2). 93-104 doi:10.1002/jcc.540070202
Fabian, Walter M. F. (1991) Tautomeric equilibria of heterocyclic molecules. A test of the semiempirical AM1 and MNDO-PM3 methods. Journal of Computational Chemistry, 12 (1). 17-35 doi:10.1002/jcc.540120104
Gano, James E., Jacob, E. Jean, Roesner, Rebecca (1991) Evaluation of PM3, AM1, and MNDO for calculation of higher energy ionization potentials. Journal of Computational Chemistry, 12 (1). 126-134 doi:10.1002/jcc.540120114
 
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