Computational studies on [4 + 2] / [3 + 2] tandem sequential cycloaddition reactions of functionalized acetylenes with cyclopentadiene and diazoalkane for the formation of norbornene pyrazolines

A DFT mechanistic study of the generation of azomethine ylides from the ring-opening reactions of stabilized aziridines and follow-up 1,3-dipolar cycloaddition reactions with acetaldehyde

(2018) Shiraz Nantogma et al.   Computational and Theoretical Chemistry

Tandem Intramolecular Diels–Alder/1,3-Dipolar Cycloaddition Cascade of 1,3,4-Oxadiazoles: Initial Scope and Applications

(2016) Justin E. Sears et al.   ACCOUNTS OF CHEMICAL RESEARCH

Mechanistic studies on Diels-Alder [4 + 2] cycloaddition reactions of α,β-substituted cyclobutenones: Role of substituents in regio- and stereoselectivity

(2016) Evans Fosu et al.   TETRAHEDRON

[3 + 2] versus [2 + 2] Addition: A Density Functional Theory Study on the Mechanistic Aspects of Transition Metal-Assisted Formation of 1,2-Dinitrosoalkanes

(2016) Ernest Opoku et al.   Journal of Chemistry

Total Synthesis of (−)-Vindoline and (+)-4-epi-Vindoline Based on a 1,3,4-Oxadiazole Tandem Intramolecular [4 + 2]/[3 + 2] Cycloaddition Cascade Initiated by an Allene Dienophile

(2015) Justin E. Sears et al.   ORGANIC LETTERS

Mechanistic Study of a Ru-Xantphos Catalyst for Tandem Alcohol Dehydrogenation and Reductive Aryl-Ether Cleavage

(2013) Stephen C. Chmely et al.   ACS Catalysis

Experimental Diels-Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained through Transition-State Distortion Energies

(2011) Robert S. Paton et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Unraveling the Mechanism of Cascade Reactions of Zincke Aldehydes

(2011) Robert S. Paton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Novel chalcones and 1,3,5-triphenyl-2-pyrazoline derivatives as antibacterial agents

(2010) Ponnurengam Malliappan Sivakumar et al.   Chemical Biology & Drug Design

Origins of Stereoselectivity in thetransDiels−Alder Paradigm

(2010) Robert S. Paton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Accurate Reaction Enthalpies and Sources of Error in DFT Thermochemistry for Aldol, Mannich, and α-Aminoxylation Reactions

(2009) Steven E. Wheeler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Tandem double intramolecular [4+2]/[3+2] cycloadditions of nitroalkenes: construction of the pentacyclic core structure of daphnilactone B

(2009) Scott E. Denmark et al.   TETRAHEDRON

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Sources of Error in DFT Computations of CC Bond Formation Thermochemistries: π→σ Transformations and Error Cancellation by DFT Methods

(2008) Susan N. Pieniazek et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Convenient Synthesis of Substituted Pyrazolidines and Azaproline Derivatives through Highly Regio- and Diastereoselective Reduction of 2-Pyrazolines

(2007) Jesús M. de los Santos et al.   JOURNAL OF ORGANIC CHEMISTRY