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Bultinck, Patrick, Ponec, Robert, Carbó-Dorca, Ramon (2007) Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. Journal of Computational Chemistry, 28 (1). 152-160 doi:10.1002/jcc.20491

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Reference TypeJournal (article/letter/editorial)
TitleAromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach
JournalJournal of Computational Chemistry
AuthorsBultinck, PatrickAuthor
Ponec, RobertAuthor
Carbó-Dorca, RamonAuthor
Year2007 (January 15)Volume28
Issue1
PublisherWiley
DOIdoi:10.1002/jcc.20491Search in ResearchGate
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Mindat Ref. ID3148744Long-form Identifiermindat:1:5:3148744:7
GUID0
Full ReferenceBultinck, Patrick, Ponec, Robert, Carbó-Dorca, Ramon (2007) Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. Journal of Computational Chemistry, 28 (1). 152-160 doi:10.1002/jcc.20491
Plain TextBultinck, Patrick, Ponec, Robert, Carbó-Dorca, Ramon (2007) Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. Journal of Computational Chemistry, 28 (1). 152-160 doi:10.1002/jcc.20491
In(2007, January) Journal of Computational Chemistry Vol. 28 (1) Wiley

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Bultinck, Patrick, Rafat, Michel, Ponec, Robert, Van Gheluwe, Bart, Carbó-Dorca, Ramon, Popelier, Paul (2006) Electron Delocalization and Aromaticity in Linear Polyacenes:  Atoms in Molecules Multicenter Delocalization Index. The Journal of Physical Chemistry A, 110 (24). 7642-7648 doi:10.1021/jp0609176
Carbó-Dorca, Ramon (2016) Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equation. Journal of Computational Chemistry, 37 (1). 78-82 doi:10.1002/jcc.24021
Carbó-Dorca, Ramon, Mercado, Luz Dary (2010) Commentaries on quantum similarity (1): Density gradient quantum similarity. Journal of Computational Chemistry, 31 (11). 2195-2212 doi:10.1002/jcc.21510
Carbó-Dorca, Ramon, Besalú, Emili, Mercado, Luz Dary (2011) Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm. Journal of Computational Chemistry, 32 (4). 582-599 doi:10.1002/jcc.21644
Carbó‐Dorca, Ramon, Chakraborty, Tanmoy (2019) Divagations about the periodic table: Boolean hypercube and quantum similarity connections. Journal of Computational Chemistry, 40 (30). 2653-2663 doi:10.1002/jcc.26044
Ponec, Robert, Yuzhakov, Gleb, Carbó-Dorca, Ramon (2003) Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds. Journal of Computational Chemistry, 24 (15). 1829-1838 doi:10.1002/jcc.10322
Ponec, Robert, Amat, Lluís, Carbó-Dorca, Ramon (1999) Quantum similarity approach to LFER: substituent and solvent effects on the acidities of carboxylic acids. Journal of Physical Organic Chemistry, 12 (6). 447-454 doi:10.1002/(sici)1099-1395(199906)12:6<447::aid-poc143>3.0.co;2-7
Bultinck, Patrick, Carbó-Dorca, Ramon (2007) Comment on “Chemoselectives in Acetalization, Thioacetalization, Oxathioacetalization and Azathioacetalization”. The Journal of Physical Chemistry A, 111 (13). 2640 doi:10.1021/jp067333o
Bultinck, Patrick, Van Alsenoy, Christian, Ayers, Paul W., Carbó-Dorca, Ramon (2007) Critical analysis and extension of the Hirshfeld atoms in molecules. The Journal of Chemical Physics, 126 (14). 144111pp. doi:10.1063/1.2715563
Amat, Llu�s, Carb�-Dorca, Ramon, Ponec, Robert (1998) Molecular quantum similarity measures as an alternative to log P values in QSAR studies. Journal of Computational Chemistry, 19 (14). 1575-1583 doi:10.1002/(sici)1096-987x(19981115)19:14<1575::aid-jcc3>3.0.co;2-g
Carbó-Dorca, Ramon (2013) Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spaces. Journal of Computational Chemistry, 34 (9). 766-779 doi:10.1002/jcc.23198
 
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