Modeling rate-controlling solvent effects. The pericyclic Meisenheimer rearrangement of N-propargylmorpholine N-oxide

Journal of the American Chemical Society

Volumn 127, Issue 20, 2005, Pages 7615-7631

  Mucsi, Zoltán ^a   Szabó, Anna ^b   Hermecz, István ^b   Kucsman, Árpád ^a   Csizmadia, Imre G ^c,d  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^c UNIVERSITY OF TORONTO   (Canada)

^d UNIVERSITY OF SZEGED   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; HYDROGEN BONDS; ISOTOPES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; REACTION KINETICS; SOLVENTS;

CYCLIZATION; ELECTRON-PAIRS; MOLECULAR COMPUTATIONS; SOLVENT EFFECTS;

NITROGEN COMPOUNDS;

ISOTOPE; MORPHOLINE DERIVATIVE; N PROPARGYLMORPHOLINE N OXIDE; SOLVENT; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; CONFORMATION; CYCLIZATION; DENSITY FUNCTIONAL THEORY; ELECTRON; HYDROGEN BOND; ISOTOPE LABELING; MATHEMATICAL ANALYSIS; MODEL; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PARAMETER; PERICYCLIC MEISENHEIMER REARRANGEMENT REACTION; PREDICTION; REACTION ANALYSIS; REACTION TIME; SIMULATION;

CYCLIC N-OXIDES; HYDROGEN BONDING; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MORPHINANS; MORPHOLINES; SOLUBILITY; SOLVENTS; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS;

EID: 19744366030     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja042227q     Document Type: Article

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