Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure Methods.
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The Mechanism of N-O Bond Cleavage in Rhodium-Catalyzed C-H Bond Functionalization of Quinoline N-oxides with Alkynes: A Computational Study.From Mechanistic Study to Chiral Catalyst Optimization: Theoretical Insight into Binaphthophosphepine-catalyzed Asymmetric Intramolecular [3 + 2] Cycloaddition.Benchmark study of the performance of density functional theory for bond activations with (ni,pd)-based transition-metal catalysts.Computational Investigation of the Role Played by Rhodium(V) in the Rhodium(III)-Catalyzed ortho-Bromination of Arenes.Silane-initiated nucleation in chemically active plasmas: validation of density functionals, mechanisms, and pressure-dependent variational transition state calculations.Dinuclear versus mononuclear pathways in zinc mediated nucleophilic addition: a combined experimental and DFT study.A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions.Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms.Kinetics and branching fractions of the hydrogen abstraction reaction from methyl butenoates by H atoms
P2860
Q40852763-4FF6099A-EAE1-4A63-867D-A4D45215F41FQ41309023-1647FA5D-A009-4A28-A57F-E52B19DC51BCQ42263940-2BBE3C03-8A40-411B-9963-D47D0A8F297BQ46442865-973FF668-37F1-466C-9E19-1F2E846E2ADFQ46574611-E56BCA2C-E556-40AE-A86F-4F7D8C9794E5Q46725754-BDBCE199-CA3B-44CA-9B98-053AA0ACEF34Q47565726-F6F0AC9D-C802-4895-B6D7-04FB6577D40DQ50040415-624CF7BD-3672-4792-8D83-31444F512F23Q57401870-22DC88A1-83CE-43EA-BD4C-0F3ADBEB099C
P2860
Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure Methods.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
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2012年學術文章
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name
Benchmark Database for Ylidic ...... Electronic Structure Methods.
@en
Benchmark Database for Ylidic ...... Electronic Structure Methods.
@nl
type
label
Benchmark Database for Ylidic ...... Electronic Structure Methods.
@en
Benchmark Database for Ylidic ...... Electronic Structure Methods.
@nl
prefLabel
Benchmark Database for Ylidic ...... Electronic Structure Methods.
@en
Benchmark Database for Ylidic ...... Electronic Structure Methods.
@nl
P356
P1476
Benchmark Database for Ylidic ...... Electronic Structure Methods.
@en
P2093
P304
P356
10.1021/CT300457C
P577
2012-07-24T00:00:00Z