UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Quasiclassical Direct Dynamics Trajectory Simulations of Organometallic Reactions

Accounts of chemical research, 2021-12, Vol.54 (23), p.4410-4422

Ess, Daniel H

2021

Volltextzugriff (PDF)

Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling

Chemical reviews, 2019-06, Vol.119 (11), p.6509-6560

2019

Volltextzugriff (PDF)

Direct Dynamics Trajectories Demonstrate Dynamic Matching and Nonstatistical Radical Pair Intermediates during Fe-Oxo-Mediated C–H Functionalization Reactions

Journal of the American Chemical Society, 2023-04, Vol.145 (13), p.7628-7637

2023

Volltextzugriff (PDF)

Direct Dynamics Trajectories Reveal Nonstatistical Coordination Intermediates and Demonstrate that σ and π‑Coordination Are Not Required for Rhenium(I)-Mediated Ethylene C–H Activation

Journal of the American Chemical Society, 2021-06, Vol.143 (22), p.8367-8374

2021

Volltextzugriff (PDF)

Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models

Journal of the American Chemical Society, 2008-08, Vol.130 (31), p.10187-10198

2008

Volltextzugriff (PDF)

Dirhodium-catalyzed C-H arene amination using hydroxylamines

Science (American Association for the Advancement of Science), 2016-09, Vol.353 (6304), p.1144-1147

2016

Volltextzugriff (PDF)

Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity

Journal of the American Chemical Society, 2007-09, Vol.129 (35), p.10646-10647

2007

Volltextzugriff (PDF)

Rapid Synthesis of Fused N-Heterocycles by Transition-Metal-Free Electrophilic Amination of Arene CH Bonds

Angewandte Chemie International Edition, 2014-03, Vol.53 (10), p.2701-2705

2014

Volltextzugriff (PDF)

Organocatalytic Aryl–Aryl Bond Formation: An Atroposelective [3,3]‑Rearrangement Approach to BINAM Derivatives

Journal of the American Chemical Society, 2013-05, Vol.135 (20), p.7414-7417

2013

Volltextzugriff (PDF)

Dynamical Mechanism May Avoid High-Oxidation State Ir(V)–H Intermediate and Coordination Complex in Alkane and Arene C–H Activation by Cationic Ir(III) Phosphine

Journal of the American Chemical Society, 2018-09, Vol.140 (35), p.11039-11045

2018

Volltextzugriff (PDF)

Understanding Formation and Roles of NiII Aryl Amido and NiIII Aryl Amido Intermediates in Ni-Catalyzed Electrochemical Aryl Amination Reactions

Journal of the American Chemical Society, 2023-07, Vol.145 (29), p.16130-16141

2023

Volltextzugriff (PDF)

Vibrational synchronization and its reaction pathway influence from an entropic intermediate in a dirhodium catalyzed allylic C-H activation/Cope rearrangement reaction

Physical chemistry chemical physics : PCCP, 2024-04, Vol.26 (15), p.11386-11394

2024

Volltextzugriff (PDF)

Bifurcations on Potential Energy Surfaces of Organic Reactions

Angewandte Chemie (International ed.), 2008-09, Vol.47 (40), p.7592-7601

2008

Volltextzugriff (PDF)

Direct Stereospecific Synthesis of Unprotected N-H and N-Me Aziridines from Olefins

Science (American Association for the Advancement of Science), 2014-01, Vol.343 (6166), p.61-65

2014

Volltextzugriff (PDF)

Dinuclear Influence on the Mechanism, Reactivity, and Selectivity During Rh–Al-Catalyzed Aryl Ether C–O Bond Reduction/Defunctionalization

Organometallics, 2023-08, Vol.42 (15), p.1890-1899

2023

Volltextzugriff (PDF)

Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2‑Amino-2′-hydroxy-1,1′-biaryls and Mechanism by DFT Calculations

Journal of the American Chemical Society, 2013-05, Vol.135 (19), p.7086-7089

2013

Volltextzugriff (PDF)

C–O and C–N Functionalization of Cationic, NCN-Type Pincer Complexes of Trivalent Nickel: Mechanism, Selectivity, and Kinetic Isotope Effect

Inorganic chemistry, 2019-03, Vol.58 (6), p.3861-3874

2019

Volltextzugriff (PDF)

Coordination-induced O-H/N-H bond weakening by a redox non-innocent, aluminum-containing radical

Nature communications, 2024-02, Vol.15 (1), p.1315-1315, Article 1315

2024

Volltextzugriff (PDF)

Proton-Coupled Electron Transfer

Chemical reviews, 2012-07, Vol.112 (7), p.4016-4093

2012

Volltextzugriff (PDF)

Nickel-Catalyzed Electrochemical Cross-Electrophile C(sp 2 )-C(sp 3 ) Coupling via a Ni II Aryl Amido Intermediate

Angewandte Chemie International Edition, 2024-09, Vol.63 (38), p.e202407118

2024

Volltextzugriff (PDF)

Nickel‐Catalyzed Electrochemical Cross‐Electrophile C(sp2)−C(sp3) Coupling via a NiII Aryl Amido Intermediate

Angewandte Chemie International Edition, 2024-09, Vol.63 (38), p.e202407118-n/a

International ed. in English, 2024

Volltextzugriff (PDF)

Practical Organocatalytic Synthesis of Functionalized Non-C2-Symmetrical Atropisomeric Biaryls

Angewandte Chemie International Edition, 2016-01, Vol.55 (2), p.566-571

International ed. in English, 2016

Volltextzugriff (PDF)

Dynamical Origin of Rebound versus Dissociation Selectivity during Fe-Oxo-Mediated C–H Functionalization Reactions

Journal of the American Chemical Society, 2024-01, Vol.146 (4), p.2452-2464

2024

Volltextzugriff (PDF)

Elusive Metal-Free Primary Amination of Arylboronic Acids: Synthetic Studies and Mechanism by Density Functional Theory

Journal of the American Chemical Society, 2012-11, Vol.134 (44), p.18253-18256

2012

Volltextzugriff (PDF)

Electro/Ni Dual‐Catalyzed Decarboxylative C(sp3)−C(sp2) Cross‐Coupling Reactions of Carboxylates and Aryl Bromide

Angewandte Chemie International Edition, 2024-05, Vol.63 (22), p.e202403844-n/a

International ed. in English, 2024

Volltextzugriff (PDF)

1 – 25 von 366

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(291)
Mit Volltextzugriff
(353)

Publikationsform

2 weitere anzeigen...

Weniger anzeigen...

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(197)
Chemistry
(179)
Physical Sciences
(167)
Chemistry, Multidisciplinary
(61)
Chemistry, Organic
(55)
Chemistry, Physical
(39)
Catalysis
(36)
Chemistry, Inorganic & Nuclear
(35)
Inorganic, Organic, Physical, And Analytical Chemistry
(24)
Life Sciences & Biomedicine
(22)
Organic Chemistry
(22)
Density Functional Theory
(18)
Physics
(17)
Synthesis
(16)
Technology
(16)
Catalysts
(15)
Molecular Structure
(13)
Models, Molecular
(12)
Physics, Atomic, Molecular & Chemical
(12)
Quantum Theory
(12)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Quasiclassical Direct Dynamics Trajectory Simulations of Organometallic Reactions

Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling

Direct Dynamics Trajectories Demonstrate Dynamic Matching and Nonstatistical Radical Pair Intermediates during Fe-Oxo-Mediated C–H Functionalization Reactions

Direct Dynamics Trajectories Reveal Nonstatistical Coordination Intermediates and Demonstrate that σ and π‑Coordination Are Not Required for Rhenium(I)-Mediated Ethylene C–H Activation

Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models

Dirhodium-catalyzed C-H arene amination using hydroxylamines

Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity

Rapid Synthesis of Fused N-Heterocycles by Transition-Metal-Free Electrophilic Amination of Arene CH Bonds

Organocatalytic Aryl–Aryl Bond Formation: An Atroposelective [3,3]‑Rearrangement Approach to BINAM Derivatives

Dynamical Mechanism May Avoid High-Oxidation State Ir(V)–H Intermediate and Coordination Complex in Alkane and Arene C–H Activation by Cationic Ir(III) Phosphine

Understanding Formation and Roles of NiII Aryl Amido and NiIII Aryl Amido Intermediates in Ni-Catalyzed Electrochemical Aryl Amination Reactions

Vibrational synchronization and its reaction pathway influence from an entropic intermediate in a dirhodium catalyzed allylic C-H activation/Cope rearrangement reaction

Bifurcations on Potential Energy Surfaces of Organic Reactions

Direct Stereospecific Synthesis of Unprotected N-H and N-Me Aziridines from Olefins

Dinuclear Influence on the Mechanism, Reactivity, and Selectivity During Rh–Al-Catalyzed Aryl Ether C–O Bond Reduction/Defunctionalization

Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2‑Amino-2′-hydroxy-1,1′-biaryls and Mechanism by DFT Calculations

C–O and C–N Functionalization of Cationic, NCN-Type Pincer Complexes of Trivalent Nickel: Mechanism, Selectivity, and Kinetic Isotope Effect

Coordination-induced O-H/N-H bond weakening by a redox non-innocent, aluminum-containing radical

Proton-Coupled Electron Transfer

Nickel-Catalyzed Electrochemical Cross-Electrophile C(sp 2 )-C(sp 3 ) Coupling via a Ni II Aryl Amido Intermediate

Nickel‐Catalyzed Electrochemical Cross‐Electrophile C(sp2)−C(sp3) Coupling via a NiII Aryl Amido Intermediate

Practical Organocatalytic Synthesis of Functionalized Non-C2-Symmetrical Atropisomeric Biaryls

Dynamical Origin of Rebound versus Dissociation Selectivity during Fe-Oxo-Mediated C–H Functionalization Reactions

Elusive Metal-Free Primary Amination of Arylboronic Acids: Synthetic Studies and Mechanism by Density Functional Theory

Electro/Ni Dual‐Catalyzed Decarboxylative C(sp3)−C(sp2) Cross‐Coupling Reactions of Carboxylates and Aryl Bromide

Suchergebnisse filtern