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Swart, Marcel, Solà, Miquel, Bickelhaupt, F. Matthias (2011) Inter- and intramolecular dispersion interactions. Journal of Computational Chemistry, 32 (6). 1117-1127 doi:10.1002/jcc.21693

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Reference TypeJournal (article/letter/editorial)
TitleInter- and intramolecular dispersion interactions
JournalJournal of Computational Chemistry
AuthorsSwart, MarcelAuthor
Solà, MiquelAuthor
Bickelhaupt, F. MatthiasAuthor
Year2011 (April 30)Volume32
Issue6
PublisherWiley
DOIdoi:10.1002/jcc.21693Search in ResearchGate
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Mindat Ref. ID3149985Long-form Identifiermindat:1:5:3149985:9
GUID0
Full ReferenceSwart, Marcel, Solà, Miquel, Bickelhaupt, F. Matthias (2011) Inter- and intramolecular dispersion interactions. Journal of Computational Chemistry, 32 (6). 1117-1127 doi:10.1002/jcc.21693
Plain TextSwart, Marcel, Solà, Miquel, Bickelhaupt, F. Matthias (2011) Inter- and intramolecular dispersion interactions. Journal of Computational Chemistry, 32 (6). 1117-1127 doi:10.1002/jcc.21693
In(2011, April) Journal of Computational Chemistry Vol. 32 (6) Wiley

See Also

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Swart, Marcel, Solà, Miquel, Bickelhaupt, F. Matthias (2007) Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods. Journal of Computational Chemistry, 28 (9). 1551-1560 doi:10.1002/jcc.20653
Swart, Marcel, Bickelhaupt, F. Matthias (2008) QUILD: QUantum-regions interconnected by local descriptions. Journal of Computational Chemistry, 29 (5). 724-734 doi:10.1002/jcc.20834
Bickelhaupt, F. Matthias, Solà, Miquel, von Ragué Schleyer, Paul (1995) Theoretical investigation of the relative stabilities ofXSSXandX2SS isomers (X= F, Cl, H, and CH3). Journal of Computational Chemistry, 16 (4). 465-477 doi:10.1002/jcc.540160410
Bento, A. Patrícia, Solà, Miquel, Bickelhaupt, F. Matthias (2005) Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si). Journal of Computational Chemistry, 26 (14). 1497-1504 doi:10.1002/jcc.20261
Swart, Marcel, Rösler, Ernst, Bickelhaupt, F. Matthias (2006) Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation. Journal of Computational Chemistry, 27 (13). 1486-1493 doi:10.1002/jcc.20431
De Jong, G. Theodoor, Geerke, Daan P., Diefenbach, Axel, Solà, Miquel, Bickelhaupt, F. Matthias (2005) Oxidative addition of the ethane CC bond to Pd. Anab initiobenchmark and DFT validation study. Journal of Computational Chemistry, 26 (10). 1006-1020 doi:10.1002/jcc.20233
Carvalho, Alexandra T. P., Fernandes, Pedro A., Swart, Marcel, Van Stralen, Joost N. P., Bickelhaupt, F. Matthias, Ramos, Maria J. (2009) Role of the variable active site residues in the function of thioredoxin family oxidoreductases. Journal of Computational Chemistry, 30 (5). 710-724 doi:10.1002/jcc.21086
Bickelhaupt, F. Matthias, Solà, Miquel, Fernández, Israel (2015) Understanding the Reactivity of Endohedral Metallofullerenes: C78versus Sc3N@C78. Chemistry - A European Journal, 21 (15). 5760-5768 doi:10.1002/chem.201500067
García-Rodeja, Yago, Solà, Miquel, Bickelhaupt, F. Matthias, Fernández, Israel (2017) Understanding the Reactivity of Ion-Encapsulated Fullerenes. Chemistry - A European Journal, 23 (46). 11030-11036 doi:10.1002/chem.201701506
Fernández, Israel, Solà, Miquel, Bickelhaupt, F. Matthias (2013) Why Do Cycloaddition Reactions Involving C60Prefer [6,6] over [5,6] Bonds?. Chemistry - A European Journal, 19 (23). 7416-7422 doi:10.1002/chem.201300648
Poater, Jordi, Bickelhaupt, F. Matthias, Solà, Miquel (2007) Didehydrophenanthrenes:  Structure, Singlet−Triplet Splitting, and Aromaticity. The Journal of Physical Chemistry A, 111 (23). 5063-5070 doi:10.1021/jp0714320
 
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