Insights into the mechanism and regiochemistry of the 1,3-dipolar cycloaddition reaction between benzaldehyde and diazomethane

Telodendrimer-Based Macromolecular Drug Design using 1,3-Dipolar Cycloaddition for Applications in Biology

(2020) Hossein Yazdani et al.   MOLECULES

Mechanistic study of the [2+2] cycloaddition reaction of cyclohexenone and its derivatives with vinyl acetate

(2020) Haydar A. Mohammad-Salim et al.   THEORETICAL CHEMISTRY ACCOUNTS

A molecular electron density theory investigation of the molecular mechanism, regioselectivity, stereoselectivity and chemoselectivity of cycloaddition reaction between acetonitrile N-oxide and 2,5-dimethyl-2H-[1,2,3]diazarsole

(2020) Abdellah Zeroual et al.   THEORETICAL CHEMISTRY ACCOUNTS

The Theoretical Study on the Mechanism of [3+2] Cycloaddition Reactions between α,β-unsaturated Selenoaldehyde with Nitrone and with Nitrile Oxide

(2020) Haydar Mohammad-Salim et al.   Journal of the Mexican Chemical Society

Theoretical study of the 1,3-DC reaction between fluorinated alkynes and azides: Reactivity indices, transition structures, IGM and ELF analysis

(2019) Mohammed Salah et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Structural and energetic properties of tautomeric forms of phosphonyl thioamides

(2018) Riadh Hanachi et al.   THEORETICAL CHEMISTRY ACCOUNTS

Insights into the bonding between tributylphosphine chalcogenides and zinc(II)

(2018) Zied Gouid et al.   THEORETICAL CHEMISTRY ACCOUNTS

Unravelling the Mysteries of [3+2] Cycloaddition Reactions

(2018) Mar Ríos-Gutiérez et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Participation of furoxancarbonitrile oxide in [3+2] cycloaddition reaction toward C–N triple bond: a Molecular Electron Density Theory study of regioselectivity and mechanistic aspect

(2018) Seyed Javad Hosseini et al.   STRUCTURAL CHEMISTRY

Computational study of the 1,3-dipolar cycloaddition between methyl 2-trifluorobutynoate and substituted azides in terms of reactivity indices and activation parameters

(2017) Mohammed Salah et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Understanding the domino reaction between 1-diazopropan-2-one and 1,1-dinitroethylene. A molecular electron density theory study of the [3 + 2] cycloaddition reactions of diazoalkanes with electron-deficient ethylenes

(2017) Luis R. Domingo et al.   RSC Advances

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

1,3-Dipolar Cycloaddition with Diazo Groups: Noncovalent Interactions Overwhelm Strain

(2016) Brian Gold et al.   ORGANIC LETTERS

How Do DFT-DCP, DFT-NL, and DFT-D3 Compare for the Description of London-Dispersion Effects in Conformers and General Thermochemistry?

(2014) Lars Goerigk   Journal of Chemical Theory and Computation

A new C–C bond formation model based on the quantum chemical topology of electron density

(2014) Luis R. Domingo   RSC Advances

1,3-Dipolar Cycloaddition of 4-Chlorobenzonitrile Oxide with Some Dipolarophiles: Theoretical Analysis of Regioselectivity

(2013) Mehdi Bakavoli et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

Regio- and sterochemistry of the [2+2]-cycloaddition reaction between enones and alkenes. A DFT study

(2012) Maurizio D'Auria   TETRAHEDRON

Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

(2012) Luis R. Domingo et al.   RSC Advances

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Theoretical study of the mechanism and regioselectivity of the 1,3-dipolar cycloaddition of diazomethane with methyl acrylate using theoretical approaches

(2008) W. Benchouk et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

A further exploration of a nucleophilicity index based on the gas-phase ionization potentials

(2008) Paula Jaramillo et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study†

(2008) Luis R. Domingo et al.   JOURNAL OF ORGANIC CHEMISTRY