The activation strain model and molecular orbital theory
about
Decreasing Distortion Energies without Strain: Diazo-Selective 1,3-Dipolar CycloadditionsEvidence for a chemical clock in oscillatory formation of UiO-66Activation Strain Analysis of SN2 Reactions at C, N, O, and F Centers.1,3-Dipolar Cycloaddition with Diazo Groups: Noncovalent Interactions Overwhelm Strain.Mechanism, reactivity, and regioselectivity in rhodium-catalyzed asymmetric ring-opening reactions of oxabicyclic alkenes: a DFT Investigation.Ferrocene Orientation Determined Intramolecular Interactions Using Energy Decomposition Analysis.Macrocycles All Aflutter: Substitution at an Allylic Center Reveals Conformational Dynamics of [13]-Macrodilactones.Liberation of H2 from (o-C6H4Me)3P-H(+) + (-)H-B(p-C6F4H)3 ion-pair: A transition-state in the minimum energy path versus the transient species in Born-Oppenheimer molecular dynamics.Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model.Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model.Stereoselective Synthesis of 1-Tuberculosinyl Adenosine; a Virulence Factor of Mycobacterium tuberculosis.Fine-Tuning Strain and Electronic Activation of Strain-Promoted 1,3-Dipolar Cycloadditions with Endocyclic Sulfamates in SNO-OCTsStabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.Bioorthogonal Cycloadditions: Computational Analysis with the Distortion/Interaction Model and Predictions of Reactivities.Influence of Endo- and Exocyclic Heteroatoms on Stabilities and 1,3-Dipolar Cycloaddition Reactivities of Mesoionic Azomethine Ylides and Imines.Enhanced π-Back-Donation as a Way to Higher Coordination Numbers in d10 [M(NHC)n ] Complexes: A DFT Study.New Insights into the Reactivity of Cisplatin with Free and Restrained Nucleophiles: Microsolvation Effects and Base Selectivity in Cisplatin-DNA Interactions.On Atoms-in-Molecules Energies from Kohn-Sham Calculations.Understanding the Reactivity of Planar Polycyclic Aromatic Hydrocarbons: Towards the Graphene Limit.Influence of the Transition-Metal Fragment on the Reactivity of Metallaanthracenes.Reactivity and Selectivity of Bowl-Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60.Exploring the relevance of thiophene rings as bridge unit in acceptor-bridge-donor dyes on self-aggregation and performance in DSSCs.An interacting quantum atom study of model SN 2 reactions (X(-) ···CH3 X, X = F, Cl, Br, and I).Deeper Insight into the Factors Controlling H2 Activation by Geminal Aminoborane-Based Frustrated Lewis Pairs.Understanding the Oxidative Addition of σ-Bonds to Group 13 Compounds.Computational insights into the S3 transfer reaction: A special case of double group transfer reaction featuring bicyclically delocalized aromatic transition state geometries.Understanding the Reactivity of Ion-Encapsulated Fullerenes.Selective C-H and C-C Bond Activation: Electronic Regimes as a Tool for Designing d(10) MLn Catalysts.Catalytic, Enantioselective, Intramolecular Sulfenofunctionalization of Alkenes with Phenols.Ion-Pair SN 2 Substitution: Activation Strain Analyses of Counter-Ion and Solvent Effects.Formation of a Trifluorophosphane Platinum(II) Complex by P-F Bond Activation of Phosphorus Pentafluoride with a Pt0 Complex.Trifluoromethyl Vinyl Sulfide: A Building Block for the Synthesis of CF3S-Containing Isoxazolidines.Nucleophilic Substitution in Solution: Activation Strain Analysis of Weak and Strong Solvent Effects.Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent.
P2860
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P2860
The activation strain model and molecular orbital theory
description
2015 nî lūn-bûn
@nan
2015 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
The activation strain model and molecular orbital theory
@ast
The activation strain model and molecular orbital theory
@en
The activation strain model and molecular orbital theory
@nl
type
label
The activation strain model and molecular orbital theory
@ast
The activation strain model and molecular orbital theory
@en
The activation strain model and molecular orbital theory
@nl
prefLabel
The activation strain model and molecular orbital theory
@ast
The activation strain model and molecular orbital theory
@en
The activation strain model and molecular orbital theory
@nl
P2860
P356
P1476
The activation strain model and molecular orbital theory
@en
P2093
F Matthias Bickelhaupt
P2860
P304
P356
10.1002/WCMS.1221
P577
2015-05-18T00:00:00Z