Published in J Mol Model on March 16, 2016
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev B Condens Matter (1988) 93.32
Nucleus-independent chemical shifts (NICS) as an aromaticity criterion. Chem Rev (2005) 2.87
Remarkably facile hexatriene electrocyclizations as a route to functionalized cyclohexenones via ring expansion of cyclobutenones. J Am Chem Soc (2004) 1.32
Computational studies on the electrocyclizations of 1-amino-1,3,5-hexatrienes. J Org Chem (2004) 1.09
Biomimetically inspired total synthesis and structure activity relationships of 1-O-methyllateriflorone. 6 pi electrocyclizations in organic synthesis. J Am Chem Soc (2004) 1.07
Synthesis of indoles via 6pi-electrocyclic ring closures of trienecarbamates. J Am Chem Soc (2006) 1.05
A new approach to the nazarov reaction via sequential electrocyclic ring opening and ring closure. J Am Chem Soc (2006) 1.05
How to promote sluggish electrocyclization of 1,3,5-hexatrienes by captodative substitution. J Org Chem (2006) 0.97
Origins of inward torquoselectivity by silyl groups and other sigma-acceptors in electrocyclic reactions of cyclobutenes. J Am Chem Soc (2003) 0.97
Density functional theory and phytochemical study of Pistagremic acid. Spectrochim Acta A Mol Biomol Spectrosc (2013) 0.81
Are electrocyclization reactions of (3Z)-1,3,5-hexatrienone and nitrogen derivatives pseudopericyclic? A DFT study. J Org Chem (2005) 0.80
Transition structures, energetics, and nucleus-independent chemical shifts for 6pi electrocyclizations of dienylketenes to cyclohexadienones: a DFT study. J Org Chem (2004) 0.80
Calculation driven synthesis of an excellent dihydropyrene negative photochrome and its photochemical properties. J Am Chem Soc (2011) 0.79
Phytochemical, spectroscopic and density functional theory study of Diospyrin, and non-bonding interactions of Diospyrin with atmospheric gases. Spectrochim Acta A Mol Biomol Spectrosc (2015) 0.79
Cascade cyclization: carbopalladative cyclization followed by electrocyclic closure as a route to complex polycycles. J Am Chem Soc (2001) 0.79
Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines. Org Biomol Chem (2014) 0.79
A DFT study of the thermal, orbital symmetry forbidden, cyclophanediene to dihydropyrene electrocyclic reaction. Predictions to improve the dimethyldihydropyrene photoswitches. J Am Chem Soc (2005) 0.79
Thermal [2 + 2] cycloreversion of a cyclobutane moiety via a biradical reaction. J Phys Chem A (2011) 0.78
Theoretical study on the aromaticity of transition states in pericyclic reactions. J Phys Chem A (2006) 0.78
A theoretical study of thermal [1,3]-sigmatropic rearrangements of 3-trimethylsilyl-1-pyrazoline: concerted vs. stepwise mechanisms. J Comput Chem (2006) 0.78
Syntheses of dihydropyrene-cyclophanediene negative photochromes containing internal alkenyl and alkynyl groups and comparison of their photochemical and thermochemical properties. J Org Chem (2014) 0.78
Conrotatory ring-opening reactions of cyclopropyl anions in monocyclic and tricyclic systems. Org Lett (2004) 0.77
Spectroscopic and density functional theory studies of 5,7,3',5'-tetrahydroxyflavanone from the leaves of Olea ferruginea. Spectrochim Acta A Mol Biomol Spectrosc (2014) 0.77