Nucleophilic Influences and Origin of the SN 2 Allylic Effect

Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent

(2018) Trevor A. Hamlin et al.   CHEMPHYSCHEM

Dynamics and Novel Mechanisms of SN2 Reactions on ab Initio Analytical Potential Energy Surfaces

(2017) István Szabó et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Activation Strain Analysis of SN2 Reactions at C, N, O, and F Centers

(2017) Jan Kubelka et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Activation of the SN2 Reaction by Adjacent π Systems: The Critical Role of Electrostatic Interactions and of Dissociative Character

(2016) Raphaël Robiette et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rethinking the SN2 reaction

(2016) J. Xie et al.   SCIENCE

Chemical dynamics simulations of the monohydrated OH−(H2O) + CH3I reaction. Atomic-level mechanisms and comparison with experiment

(2015) Jing Xie et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of the leaving group on the dynamics of a gas-phase SN2 reaction

(2015) Martin Stei et al.   Nature Chemistry

Revealing a double-inversion mechanism for the F−+CH3Cl SN2 reaction

(2015) István Szabó et al.   Nature Communications

The activation strain model and molecular orbital theory: understanding and designing chemical reactions

(2014) Israel Fernández et al.   CHEMICAL SOCIETY REVIEWS

Do π-Conjugative Effects Facilitate SN2 Reactions?

(2014) Chia-Hua Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Origin of the SN2 Benzylic Effect: Contributions by π Delocalization and Field/Inductive Effects

(2012) Robert E. Rawlings et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Chemical Dynamics Simulations of X– + CH3Y → XCH3 + Y– Gas-Phase SN2 Nucleophilic Substitution Reactions. Nonstatistical Dynamics and Nontraditional Reaction Mechanisms

(2012) Paranjothy Manikandan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Steric Effects and Solvent Effects on SN2 Reactions

(2009) Yongho Kim et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

Nucleophilicity and Leaving-Group Ability in Frontside and Backside SN2 Reactions

(2008) A. Patrícia Bento et al.   JOURNAL OF ORGANIC CHEMISTRY

Origin of the SN2 Benzylic Effect

(2008) Boris Galabov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS