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The Journal of Organic Chemistry|July 20, 2018
Density Functional Theory Computational Reexamination of the Anomeric Effect in 2-Methoxy- and 2-Cyano-1,3-dioxanes and 1,3-Dithianes. Stereoelectronic Interactions Involving the Cyano (C≡N:) Group Revealed by Natural Bond Orbital (NBO) AnalysisEusebio Juaristi, Rafael NotarioThe Journal of Organic Chemistry|February 23, 2018
Stereoelectronic Interactions Exhibited by 1 JC-H One-Bond Coupling Constants and Examination of the Possible Existence of the Intramolecular α-Effect in Six-Membered Oxygen-Containing HeterocyclesEusebio Juaristi, Rafael NotarioThe Journal of Organic Chemistry|February 18, 2015
Theoretical examination of the S-C-P anomeric effectEusebio Juaristi, Rafael NotarioThe Journal of Organic Chemistry|January 16, 2016
Theoretical Evidence for the Relevance of n(F) → σ*(C-X) (X = H, C, O, S) Stereoelectronic InteractionsEusebio Juaristi, Rafael NotarioChemical Society Reviews|March 22, 2005
Calorimetric and computational study of sulfur-containing six-membered ringsEusebio Juaristi, Rafael Notario, Maria Victoria RouxJournal of Physics. Condensed Matter : an Institute of Physics Journal|July 2, 2016
An integral equation and simulation study of hydrogen inclusions in a molecular crystal of short-capped nanotubesEnrique Lomba, Cecilia Bores, Rafael Notario, et al.The Journal of Physical Chemistry. A|January 29, 2013
Intrinsic relative scales of electrophilicity and nucleophilicityEduardo Chamorro, Mario Duque-Noreña, Rafael Notario, et al.The Journal of Physical Chemistry. A|April 10, 2012
Substituent effects on the thermochemistry of thiophenes. a theoretical (G3(MP2)//B3LYP and G3) studyRafael Notario, Manuel Temprado, María Victoria Roux, et al.The Journal of Physical Chemistry. A|December 8, 2017
Gas-Phase Acidities and Basicities of Alanines and N-Benzylalanines by the Extended Kinetic MethodRafael Notario, Juan Z Dávalos, Ramón Guzmán-Mejía, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|May 31, 2013
Isoelectronic and isolobal O, CH2, CH3+ and BH3 as electron pairs; similarities between molecular and solid-state chemistryÁngel Vegas, Rafael Notario, Eduardo Chamorro, et al.Pageof 5