The activation strain model and molecular orbital theory: understanding and designing chemical reactions.
about
Decreasing Distortion Energies without Strain: Diazo-Selective 1,3-Dipolar Cycloadditions1,3-Dipolar Cycloadditions of Diazo Compounds in the Presence of AzidesEvidence for a chemical clock in oscillatory formation of UiO-66Activation Strain Analysis of SN2 Reactions at C, N, O, and F Centers.Mechanism and selectivity of the dinuclear iron benzoyl-coenzyme A epoxidase BoxB.Highly accelerated inverse electron-demand cycloaddition of electron-deficient azides with aliphatic cyclooctynes.The role of aryne distortions, steric effects, and charges in regioselectivities of aryne reactionsThe activation strain model and molecular orbital theoryMechanism, reactivity, and selectivity of nickel-catalyzed [4 + 4 + 2] cycloadditions of dienes and alkynes.Stereocontrolled synthesis of vicinally functionalized piperidines by nucleophilic β-addition of alkyllithiums to α-aryl substituted piperidine enecarbamates.Rapid cycloaddition of a diazo group with an unstrained dipolarophile.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.Macrocycles All Aflutter: Substitution at an Allylic Center Reveals Conformational Dynamics of [13]-Macrodilactones.Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model.Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model.Computational Study of the Palladium-Catalyzed Carbonylative Synthesis of Aromatic Acid Chlorides: The Synergistic Effect of PtBu3 and CO on Reductive Elimination.Fine-Tuning Strain and Electronic Activation of Strain-Promoted 1,3-Dipolar Cycloadditions with Endocyclic Sulfamates in SNO-OCTsMechanism of [3+2] cycloaddition of alkynes to the [Mo3 S4 (acac)3 (py)3 ][PF6 ] cluster.Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides.Eight-coordinate fluoride in a silicate double-four-ring.Ni(NHC)]-catalyzed cycloaddition of diynes and tropone: apparent enone cycloaddition involving an 8π insertion.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.Reaction mechanism of hydrogen evolution catalysed by Co and Fe complexes containing a tetra-dentate phosphine ligand - a DFT study.Dynamic Cross-Exchange in Halophosphonium Species: Direct Observation of Stereochemical Inversion in the Course of an SN 2 Process.Schleyer hyperconjugative aromaticity and Diels-Alder reactivity of 5-substituted cyclopentadienes.Enhanced π-Back-Donation as a Way to Higher Coordination Numbers in d10 [M(NHC)n ] Complexes: A DFT Study.Exploring the Oxidative-Addition Pathways of Phenyl Chloride in the Presence of Pd(II) Abnormal N-Heterocyclic Carbene 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.Regioselective Transition-Metal-Free Allyl-Allyl Cross-Couplings.The catalytic effect of the NH3 base on the chemical events in the caryolene-forming carbocation cascade.Heterolytic Splitting of Molecular Hydrogen by Frustrated and Classical Lewis Pairs: A Unified Reactivity Concept.ETS-NOCV decomposition of the reaction force for double-proton transfer in formamide-derived systems.The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study.Theoretical insight into the regioselective ring-expansions of bicyclic aziridinium ions.Indirect dynamics in SN2@N: insight into the influence of central atoms.ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water.Understanding the Reactivity of Planar Polycyclic Aromatic Hydrocarbons: Towards the Graphene Limit.Influence of the Transition-Metal Fragment on the Reactivity of Metallaanthracenes.
P2860
Q28817848-5286F0D1-879E-4DAD-82BD-EF79013AC2ABQ28817850-01891F01-F9AD-442C-8214-122271CCC80AQ28830463-805CD2FE-54D8-4BF5-80FD-E9C1AE8BFCCAQ30840160-C1662DF3-35BB-4A2A-89C8-A01A2FC34E4AQ33847967-DDB26EFD-D84A-4A3F-8381-0F8C6B56DD84Q34446996-266C6B75-44A9-445A-AE51-0ED9D2AE6FA0Q34458865-F9F48836-6F98-44D0-80E1-3C112B5F0285Q34508508-AE7C82F9-0911-49F5-853C-C7140C331837Q34764386-0CCF01A9-0BFE-4065-BBEC-9AF7BA399609Q35618698-D0491D7F-21EC-4035-8908-08A2441378DCQ37446492-EFC507D7-8FA1-4BB6-BF92-044DE321F381Q37490674-6D5A7272-3E6D-4384-B0EB-68D07DBAF7F6Q37578844-D8593128-1016-4D6A-BF3F-50FA4F6A0F95Q38636770-D9710587-F769-44F4-9FAD-BD63FF29EE80Q39013222-F29A6F2F-61ED-4D4E-8EA4-3A0FD7D593E0Q39266241-688A9A9F-1755-4726-AAAA-350B1AF18F97Q39409824-812B68A2-8974-4DA9-A5E2-0D7B6B497898Q41302083-BE52BBE1-AE39-40FA-9028-9637BAFC84FCQ41662616-04A5F423-4102-4B3C-B5A6-C6CB9BF82F52Q42149159-3E4BFBA7-D310-4FB7-BE3E-DFF40789B011Q42323944-1C048AFA-A068-4501-9250-BA99EC6BC8C0Q42553483-E8246AF1-B0F9-47A0-9319-742DDB03BB75Q42915586-DF16ED3D-9C41-40E7-A7E0-ECA22DBB28A7Q45734428-6ACED7D5-FB77-463E-BB9E-5A4944FCD2BBQ46250598-1A6F9A90-E69C-4BB8-8754-3061B48B45BAQ46259472-927D534D-02FC-4C18-9F00-0E3C95A30BFBQ46388707-91DB7C97-F3F1-4222-8A69-481D83C6E55AQ46471563-2BB09236-7E0D-4D72-BAA3-C63DB7122107Q46475822-8AB12DEC-1693-4DF5-9D1C-BE5FE86E636AQ46487990-32058186-CBC8-43D4-B837-64D3D87310ABQ46514696-74D15CA6-7964-4E0F-993C-D419530EDE83Q46940521-121DC6F1-B3F7-45F8-B225-FFAA294CC7C9Q47137424-958E9D4E-35D8-462F-9DBA-571AB77B2D0CQ47168559-A0EFE34E-2EED-4F33-AA0B-D85EEF699E9CQ47682206-D91CFA0D-F565-475D-BF20-419C3D5696B0Q47738743-6E012AB1-F3D7-4E01-9E07-2196A73C2879Q47785738-33BD659E-9578-46FC-A62E-D980ACEA8480Q47967737-B5C696AB-27C1-48F9-AC57-1CE06E880EF6Q48042113-A9C5EB8D-0CE5-482A-AEBA-6BA56E6EDB9EQ48043958-916FBD81-6DE3-4C9C-9427-051ADCAD88B1
P2860
The activation strain model and molecular orbital theory: understanding and designing chemical reactions.
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
@es
name
The activation strain model an ...... designing chemical reactions.
@en
type
label
The activation strain model an ...... designing chemical reactions.
@en
prefLabel
The activation strain model an ...... designing chemical reactions.
@en
P2860
P356
P1476
The activation strain model an ...... designing chemical reactions.
@en
P2093
F Matthias Bickelhaupt
Israel Fernández
P2860
P304
P356
10.1039/C4CS00055B
P577
2014-04-04T00:00:00Z