Elucidating the origin of selectivity of [3 + 2]-cycloaddition reactions between thioketone and carbohydrate-derived nitrones by the DFT
出版年份 2019 全文链接
标题
Elucidating the origin of selectivity of [3 + 2]-cycloaddition reactions between thioketone and carbohydrate-derived nitrones by the DFT
作者
关键词
Thioketone, Carbohydrate-derived nitrones, [3 + 2]-cycloaddition reactions, Selectivity, DFT calculation
出版物
JOURNAL OF MOLECULAR MODELING
Volume 25, Issue 7, Pages -
出版商
Springer Science and Business Media LLC
发表日期
2019-07-03
DOI
10.1007/s00894-019-4104-6
参考文献
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- (2018) Yan Zhang et al. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
- A Molecular Electron Density Theory Study of the Reactivity and Selectivities in [3 + 2] Cycloaddition Reactions of C,N-Dialkyl Nitrones with Ethylene Derivatives
- (2018) Luis R. Domingo et al. JOURNAL OF ORGANIC CHEMISTRY
- Unravelling the Mysteries of [3+2] Cycloaddition Reactions
- (2018) Mar Ríos-Gutiérez et al. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
- A Molecular Electron Density Theory Study of the Role of the Copper Metalation of Azomethine Ylides in [3 + 2] Cycloaddition Reactions
- (2018) Luis R. Domingo et al. JOURNAL OF ORGANIC CHEMISTRY
- A molecular electron density theory study of the [3 + 2] cycloaddition reaction of nitrones with ketenes
- (2017) Mar Ríos-Gutiérrez et al. ORGANIC & BIOMOLECULAR CHEMISTRY
- How Dirhodium Catalyst Controls the Enantioselectivity of [3 + 2]-Cycloaddition between Nitrone and Vinyldiazoacetate: A Density Functional Theory Study
- (2016) Xin Yang et al. JOURNAL OF ORGANIC CHEMISTRY
- Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity
- (2016) Luis Domingo et al. MOLECULES
- Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry
- (2016) Luis Domingo MOLECULES
- Stereoselective 1,3-dipolar cycloadditions of thioketones to carbohydrate-derived nitrones
- (2016) Grzegorz Mlostoń et al. TETRAHEDRON-ASYMMETRY
- Understanding Bond Formation in Polar One-Step Reactions. Topological Analyses of the Reaction between Nitrones and Lithium Ynolates
- (2015) David Roca-López et al. JOURNAL OF ORGANIC CHEMISTRY
- 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 cycloadditions of new 2,5-bifunctionalized five-membered cyclic nitrones
- (2012) Marian Buchlovič et al. TETRAHEDRON
- Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions
- (2012) Luis R. Domingo et al. RSC Advances
- Pericyclic Cascade with Chirality Transfer: Reaction Pathway and Origin of Enantioselectivity of the Hetero-Claisen Approach to Oxindoles
- (2011) Nihan Çelebi-Ölçüm et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
- (2011) Julia Contreras-García et al. Journal of Chemical Theory and Computation
- Multiwfn: A multifunctional wavefunction analyzer
- (2011) Tian Lu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation
- (2011) Raphael F. Ribeiro et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Understanding the kinetic solvent effects on the 1,3-dipolar cycloaddition of benzonitrile N-oxide: a DFT study
- (2011) W. Benchouk et al. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
- Computational assessment of 1,3-dipolar cycloadditions to graphene
- (2010) Yang Cao et al. JOURNAL OF MATERIALS CHEMISTRY
- Revealing Noncovalent Interactions
- (2010) Erin R. Johnson et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
- (2009) Aleksandr V. Marenich et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Density Functionals with Broad Applicability in Chemistry
- (2008) Yan Zhao et al. ACCOUNTS OF CHEMICAL RESEARCH
- Predictions of Substituent Effects in Thermal Azide 1,3-Dipolar Cycloadditions: Implications for Dynamic Combinatorial (Reversible) and Click (Irreversible) Chemistry
- (2008) Gavin O. Jones et al. JOURNAL OF ORGANIC CHEMISTRY
- Understanding the Participation of Quadricyclane as Nucleophile in Polar [2σ + 2σ + 2π] Cycloadditions toward Electrophilic π Molecules
- (2008) Luis R. Domingo et al. JOURNAL OF ORGANIC CHEMISTRY
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