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Glukhovtsev, Mikhail N., Schleyer, Paul Von Ragu�, van Eikema Hommes, Nicolaas J.R., De M. Carneiro, Jose Walkimar, Koch, Wolfram (1993) Is tetrahedral H42+ a minimum? Anomalous behavior of popular basis sets with the standardp exponents on hydrogen. Journal of Computational Chemistry, 14 (3). 285-294 doi:10.1002/jcc.540140305

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Reference TypeJournal (article/letter/editorial)
TitleIs tetrahedral H42+ a minimum? Anomalous behavior of popular basis sets with the standardp exponents on hydrogen
JournalJournal of Computational Chemistry
AuthorsGlukhovtsev, Mikhail N.Author
Schleyer, Paul Von Ragu�Author
van Eikema Hommes, Nicolaas J.R.Author
De M. Carneiro, Jose WalkimarAuthor
Koch, WolframAuthor
Year1993 (March)Volume14
Issue3
PublisherWiley
DOIdoi:10.1002/jcc.540140305Search in ResearchGate
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Mindat Ref. ID3146056Long-form Identifiermindat:1:5:3146056:5
GUID0
Full ReferenceGlukhovtsev, Mikhail N., Schleyer, Paul Von Ragu�, van Eikema Hommes, Nicolaas J.R., De M. Carneiro, Jose Walkimar, Koch, Wolfram (1993) Is tetrahedral H42+ a minimum? Anomalous behavior of popular basis sets with the standardp exponents on hydrogen. Journal of Computational Chemistry, 14 (3). 285-294 doi:10.1002/jcc.540140305
Plain TextGlukhovtsev, Mikhail N., Schleyer, Paul Von Ragu�, van Eikema Hommes, Nicolaas J.R., De M. Carneiro, Jose Walkimar, Koch, Wolfram (1993) Is tetrahedral H42+ a minimum? Anomalous behavior of popular basis sets with the standardp exponents on hydrogen. Journal of Computational Chemistry, 14 (3). 285-294 doi:10.1002/jcc.540140305
In(1993, March) Journal of Computational Chemistry Vol. 14 (3) Wiley

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Heidrich, Dietmar, Van Eikema Hommes, Nicolaas J. R., Von Ragué Schleyer, Paul (1993) Ab initiomodels for multiple-hydrogen exchange: Comparison of cyclic four- and six-center systems. Journal of Computational Chemistry, 14 (10). 1149-1163 doi:10.1002/jcc.540141005
Pepper, Melanie J. M., Shavitt, Isaiah, Schleyer, Paul Von Ragu�, Glukhovtsev, Mikhail N., Janoschek, Rudolf, Quack, Martin (1995) Is the stereomutation of methane possible?. Journal of Computational Chemistry, 16 (2). 207-225 doi:10.1002/jcc.540160208
Glukhovtsev, Mikhail N., Schleyer, Paul von R., van E. Hommes, Nicolaas J.R., Minkin, Vladimir I. (1993) Are the C4v complexes of cyclobutadiene with CO, NO+, and CS minima?. Chemical Physics Letters, 205. 529-534 doi:10.1016/0009-2614(93)80008-d
Von Ragué Schleyer, Paul, De M. Carneiro, José Walkimar (1992) Does CH 5+ prefer a C2vrather than a Csstructure?. Journal of Computational Chemistry, 13 (8). 997-1003 doi:10.1002/jcc.540130810
Sieber, Stefan, Buzek, Peter, Schleyer, Paul v. R., Koch, Wolfram, Carneiro, Jose Walkimar de M. (1993) The tert-butyl cation (C4H9+) potential energy surface. Journal Of The American Chemical Society, 115 (1) 259-270 doi:10.1021/ja00054a037
Carneiro, Jose Walkimar de M., Schleyer, Paul v. R., Koch, Wolfram, Raghavachari, Krishnan (1990) Structure of the 2-butyl cation. Hydrogen bridged or methyl bridged?. Journal Of The American Chemical Society, 112 (10) 4064-4066 doi:10.1021/ja00166a068
Clark, Timothy, Chandrasekhar, Jayaraman, Spitznagel, G�nther W., Schleyer, Paul Von Ragu� (1983) Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F. Journal of Computational Chemistry, 4 (3). 294-301 doi:10.1002/jcc.540040303
van Eikema Hommes, Nicolaas J. R., von Ragué Schleyer, Paul (1992) „Kinetisch verstärkte Metallierung” — wie Substituenten dieortho-Lithiierung dirigieren. Angewandte Chemie, 104 (6). 768-771 doi:10.1002/ange.19921040622
Wagner, Matthias, van Eikema Hommes, Nicolaas J. R., Noeth, Heinrich, Schleyer, Paul v. R. (1995) Lithioboranes. A Theoretical Study. Inorganic Chemistry, 34 (3) 607-614 doi:10.1021/ic00107a013
Spitznagel, G�nther W., Clark, Timothy, Chandrasekhar, Jayaraman, Schleyer, Paul Von Ragu� (1982) Stabilization of methyl anions by first-row substituents. The superiority of diffuse function-augmented basis sets for anion calculations. Journal of Computational Chemistry, 3 (3). 363-371 doi:10.1002/jcc.540030311
Pritzkow, Hans, Lobreyer, Thomas, Sundermeyer, Wolfgang, van Eikema Hommes, Nicolaas J. R., von Ragué Schleyer, Paul (1994) Invers koordinierende Silanid-Ionen an einem oligomeren Natriumalkoholat. Angewandte Chemie, 106 (2). 221-223 doi:10.1002/ange.19941060222
 
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