Erratum: Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalyzed by unmodified rhodium-carbonyls (Journal of Molecular Modeling DOI: 10.1007/s00894-010-0864-8);Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalyzed by unmodified rhodium-carbonyls

Journal of Molecular Modeling

Volumn 17, Issue 9, 2011, Pages 2275-2284

  Alagona, Giuliano ^a   Lazzaroni, Raffaello ^b   Ghio, Caterina ^a  

^a CNR   (Italy)

^b UNIVERSITY OF PISA   (Italy)

Author keywords

LanL2DZ; 3,4,4 trimethyl pent 1 ene; 3,4 dimethyl pent 1 ene; 3 methyl but 1 ene; 3 methyl pent 1 ene; 3 phenyl,4,4 dimethyl pent 1 ene; 3 phenyl,4 methyl pent 1 ene; 3 phenyl but 1 ene; 3 phenyl pent 1 ene; B3P86 6 31G; Hydroformylation; Regioselectivity

Indexed keywords

ALIPHATIC COMPOUND; ALKENE DERIVATIVE; CARBONYL DERIVATIVE; ETHYLENE DERIVATIVE; METHYL GROUP; PHENYL GROUP; RHODIUM DERIVATIVE;

CATALYSIS; CHEMICAL STRUCTURE; COMPUTATIONAL PREDICTION; CONFERENCE PAPER; CONFORMATION; CONTROLLED STUDY; EXPERIMENTAL STUDY; HYDROFORMYLATION; PREDICTION; PRIORITY JOURNAL; QUALITATIVE ANALYSIS; STEREOCHEMISTRY; SUBSTITUTION REACTION; THEORETICAL STUDY; VIBRATION;

EID: 80155157815     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1373-8     Document Type: Erratum

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