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Rauhut, Guntram, Clark, Timothy (1993) Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations. Journal of Computational Chemistry, 14 (5). 503-509 doi:10.1002/jcc.540140502

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Reference TypeJournal (article/letter/editorial)
TitleMulticenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations
JournalJournal of Computational Chemistry
AuthorsRauhut, GuntramAuthor
Clark, TimothyAuthor
Year1993 (May)Volume14
Issue5
PublisherWiley
DOIdoi:10.1002/jcc.540140502Search in ResearchGate
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Mindat Ref. ID3146083Long-form Identifiermindat:1:5:3146083:9
GUID0
Full ReferenceRauhut, Guntram, Clark, Timothy (1993) Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations. Journal of Computational Chemistry, 14 (5). 503-509 doi:10.1002/jcc.540140502
Plain TextRauhut, Guntram, Clark, Timothy (1993) Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations. Journal of Computational Chemistry, 14 (5). 503-509 doi:10.1002/jcc.540140502
In(1993, May) Journal of Computational Chemistry Vol. 14 (5) Wiley

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Rauhut, Guntram, Clark, Timothy (1993) High quality molecular electrostatic potentials from AM1 calculations. Journal of Molecular Graphics, 11 (1). 64pp. doi:10.1016/0263-7855(93)85032-l
Beck, Bernd, Rauhut, Guntram, Clark, Timothy (1994) The natural atomic orbital point charge model for PM3: Multipole moments and molecular electrostatic potentials. Journal of Computational Chemistry, 15 (10). 1064-1073 doi:10.1002/jcc.540151003
Wang, Bingze, Ford, George P. (1994) Atomic charges derived from a fast and accurate method for electrostatic potentials based on modified AM1 calculations. Journal of Computational Chemistry, 15 (2). 200-207 doi:10.1002/jcc.540150210
Rauhut, Guntram, Clark, Timothy (1993) Electron-transfer reactions: AM1 and ab initio studies on self-exchange in p-diaminobenzene systems. Journal Of The American Chemical Society, 115 (20) 9127-9135 doi:10.1021/ja00073a031
Ford, George P., Wang, Bingze (1993) New approach to the rapid semiempirical calculation of molecular electrostatic potentials based on the am1 wave function: Comparison withab initio hf/6-31g* results. Journal of Computational Chemistry, 14 (9). 1101-1111 doi:10.1002/jcc.540140911
Winget, Paul, Clark, Timothy (2004) Enthalpies of formation from B3LYP calculations. Journal of Computational Chemistry, 25 (5). 725-733 doi:10.1002/jcc.10398
Alemán, Carlos, Luque, F.J., Orozco, M. (1993) Suitability of the PM3-derived molecular electrostatic potentials. Journal of Computational Chemistry, 14 (7). 799-808 doi:10.1002/jcc.540140706
Alkorta, Ibon, Villar, Hugo O., Arteca, Gustavo A. (1993) Comparative study betweenab initio and semiempirical electrostatic potentials on molecular surfaces. Journal of Computational Chemistry, 14 (5). 530-540 doi:10.1002/jcc.540140505
Ferenczy, Gyorgy G., Reynolds, Christopher A., Richards, W. Graham (1990) Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison withab initio values. Journal of Computational Chemistry, 11 (2). 159-169 doi:10.1002/jcc.540110202
Petke, J.D. (1993) Cumulative and discrete similarity analysis of electrostatic potentials and fields. Journal of Computational Chemistry, 14 (8). 928-933 doi:10.1002/jcc.540140808
Rauhut, Guntram (1996) Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide. Journal of Computational Chemistry, 17 (16). 1848-1856 doi:10.1002/jcc.5
 
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