标题
Understanding chemical reactivity using the activation strain model
作者
关键词
-
出版物
Nature Protocols
Volume 15, Issue 2, Pages 649-667
出版商
Springer Science and Business Media LLC
发表日期
2020-01-11
DOI
10.1038/s41596-019-0265-0
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Effect of an α-Methyl Substituent on the Dienophile on Diels-Alder endo :exo Selectivity
- (2019) Olatz Larrañaga et al. ChemistryOpen
- Secondary Electrostatic Interaction Model Revised: Prediction Comes Mainly from Measuring Charge Accumulation in Hydrogen-Bonded Monomers
- (2019) Stephanie C. C. van der Lubbe et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Factors Controlling the Reactivity of Strained-Alkyne Embedded Cycloparaphenylenes
- (2019) Yago García-Rodeja et al. JOURNAL OF ORGANIC CHEMISTRY
- GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
- (2019) Christoph Bannwarth et al. Journal of Chemical Theory and Computation
- How Dihalogens Catalyze Michael Addition Reactions
- (2019) Trevor A. Hamlin et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies
- (2019) Trevor A. Hamlin et al. CHEMISTRY-A EUROPEAN JOURNAL
- autoDIAS: a python tool for an automated distortion/interaction activation strain analysis
- (2019) Dennis Svatunek et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Nucleophilic Substitution in Solution: Activation Strain Analysis of Weak and Strong Solvent Effects
- (2018) Trevor A. Hamlin et al. CHEMISTRY-A EUROPEAN JOURNAL
- Nucleophilic Influences and Origin of the SN 2 Allylic Effect
- (2018) Boris Galabov et al. CHEMISTRY-A EUROPEAN JOURNAL
- Elucidating the Trends in Reactivity of Aza-1,3-Dipolar Cycloadditions
- (2018) Trevor A. Hamlin et al. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
- RNA vs DNA G-Quadruplex: the origin of increased stability
- (2018) Francesco Zaccaria et al. CHEMISTRY-A EUROPEAN JOURNAL
- Influence of the Lewis Acid/Base Pairs on the Reactivity of Geminal E-CH2-E’ Frustrated Lewis Pairs
- (2018) Jorge Juan Cabrera-Trujillo et al. CHEMISTRY-A EUROPEAN JOURNAL
- ExcelAutomat 1.3: Fragment analysis based on the distortion/interaction-activation strain model
- (2018) Jalal Z. A. Laloo et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Arylic C–X Bond Activation by Palladium Catalysts: Activation Strain Analyses of Reactivity Trends
- (2018) Pascal Vermeeren et al. Scientific Reports
- Origins of the Unfavorable Activation and Reaction Energies of 1-Azadiene Heterocycles Compared to 2-Azadiene Heterocycles in Diels–Alder Reactions
- (2017) Jason S. Fell et al. JOURNAL OF ORGANIC CHEMISTRY
- Influence of Endo- and Exocyclic Heteroatoms on Stabilities and 1,3-Dipolar Cycloaddition Reactivities of Mesoionic Azomethine Ylides and Imines
- (2017) Pier Alexandre Champagne et al. JOURNAL OF ORGANIC CHEMISTRY
- Attenuation of London Dispersion in Dichloromethane Solutions
- (2017) Robert Pollice et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Ion-Pair SN 2 Substitution: Activation Strain Analyses of Counter-Ion and Solvent Effects
- (2016) Jalal Z. A. Laloo et al. CHEMISTRY-A EUROPEAN JOURNAL
- Understanding the Reactivity of Planar Polycyclic Aromatic Hydrocarbons: Towards the Graphene Limit
- (2016) Yago García-Rodeja et al. CHEMISTRY-A EUROPEAN JOURNAL
- The role of alkali metal cations in the stabilization of guanine quadruplexes: why K+ is the best
- (2016) F. Zaccaria et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- How Doped MoS2 Breaks Transition-Metal Scaling Relations for CO2 Electrochemical Reduction
- (2016) Xin Hong et al. ACS Catalysis
- The activation strain model and molecular orbital theory
- (2015) Lando P. Wolters et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- The activation strain model and molecular orbital theory: understanding and designing chemical reactions
- (2014) Israel Fernández et al. CHEMICAL SOCIETY REVIEWS
- Perspective: Fifty years of density-functional theory in chemical physics
- (2014) Axel D. Becke JOURNAL OF CHEMICAL PHYSICS
- Reactivity for the Diels–Alder Reaction of Cumulenes: A Distortion-Interaction Analysis along the Reaction Pathway
- (2014) Song Liu et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Density functionals for static, dynamical, and strong correlation
- (2013) Axel D. Becke JOURNAL OF CHEMICAL PHYSICS
- A Theory for Bioinorganic Chemical Reactivity of Oxometal Complexes and Analogous Oxidants: The Exchange and Orbital-Selection Rules
- (2012) Dandamudi Usharani et al. ACCOUNTS OF CHEMICAL RESEARCH
- Effect of the damping function in dispersion corrected density functional theory
- (2011) Stefan Grimme et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
- (2010) Lars Goerigk et al. Journal of Chemical Theory and Computation
- Density Functionals with Broad Applicability in Chemistry
- (2008) Yan Zhao et al. ACCOUNTS OF CHEMICAL RESEARCH
- Sources of Error in DFT Computations of CC Bond Formation Thermochemistries: π→σ Transformations and Error Cancellation by DFT Methods
- (2008) Susan N. Pieniazek et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- E2 and SN2 Reactions of X−+ CH3CH2X (X = F, Cl); anab Initioand DFT Benchmark Study
- (2008) A. Patrícia Bento et al. Journal of Chemical Theory and Computation
- Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models
- (2008) Daniel H. Ess et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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