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Transition-State Energy and Position along the Reaction Coordinate in an Extended Activation Strain Model

Chemphyschem, 2007-06, Vol.8 (8), p.1170-1181

2007

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Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization

The Journal of chemical physics, 2004-11, Vol.121 (20), p.9982-9992

2004

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Catalytic Carbon−Halogen Bond Activation: Trends in Reactivity, Selectivity, and Solvation

Journal of chemical theory and computation, 2007-03, Vol.3 (2), p.514-529

2007

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Activation of H−H, C−H, C−C and C−Cl Bonds by Pd and PdCl-. Understanding Anion Assistance in C−X Bond Activation

Journal of chemical theory and computation, 2005-03, Vol.1 (2), p.286-298

2005

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Oxidative Addition of the Chloromethane C−Cl Bond to Pd, an ab Initio Benchmark and DFT Validation Study

Journal of chemical theory and computation, 2006-03, Vol.2 (2), p.322-335

2006

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Bond activation by group-11 transition-metal cations

Canadian journal of chemistry, 2009-07, Vol.87 (7), p.806-817

2009

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Oxidative Addition of Hydrogen Halides and Dihalogens to Pd. Trends in Reactivity and Relativistic Effects

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-06, Vol.110 (25), p.7943-7951

2006

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Oxidative Addition of the Fluoromethane C−F Bond to Pd. An ab Initio Benchmark and DFT Validation Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-10, Vol.109 (42), p.9685-9699

2005

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Oxidative addition of the ethane CC bond to Pd. An ab initio benchmark and DFT validation study

Journal of computational chemistry, 2005-07, Vol.26 (10), p.1006-1020

2005

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Oxidative addition to main group versus transition metals: Insights from the Activation Strain model

Journal of organometallic chemistry, 2006-10, Vol.691 (21), p.4341-4349

2006

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DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals

Chemical physics, 2005-06, Vol.313 (1-3), p.261-270

2005

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Using the locality of the small-component density in molecular Dirac?Hartree-Fock calculations

Theoretical chemistry accounts, 2002-05, Vol.107 (5), p.304-308

2002

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DFT benchmark study for the oxidative addition of CH 4 to Pd. Performance of various density functionals

Chemical physics, 2005, Vol.313 (1), p.261-270

2005

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High quality of SARS-CoV-2 molecular diagnostics in a diverse laboratory landscape through supported benchmark testing and External Quality Assessment

Scientific reports, 2024-01, Vol.14 (1), p.1378-1378, Article 1378

2024

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Sensitization to epichlorohydrin and epoxy system components

Contact dermatitis, 1986-07, Vol.15 (2), p.85-90

1986

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Transition-State Energy and Position along the Reaction Coordinate in an Extended Activation Strain Model

Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization

Catalytic Carbon−Halogen Bond Activation: Trends in Reactivity, Selectivity, and Solvation

Activation of H−H, C−H, C−C and C−Cl Bonds by Pd and PdCl-. Understanding Anion Assistance in C−X Bond Activation

Oxidative Addition of the Chloromethane C−Cl Bond to Pd, an ab Initio Benchmark and DFT Validation Study

Bond activation by group-11 transition-metal cations

Oxidative Addition of Hydrogen Halides and Dihalogens to Pd. Trends in Reactivity and Relativistic Effects

Oxidative Addition of the Fluoromethane C−F Bond to Pd. An ab Initio Benchmark and DFT Validation Study

Oxidative addition of the ethane CC bond to Pd. An ab initio benchmark and DFT validation study

Oxidative addition to main group versus transition metals: Insights from the Activation Strain model

DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals

Using the locality of the small-component density in molecular Dirac?Hartree-Fock calculations

DFT benchmark study for the oxidative addition of CH 4 to Pd. Performance of various density functionals

High quality of SARS-CoV-2 molecular diagnostics in a diverse laboratory landscape through supported benchmark testing and External Quality Assessment

Sensitization to epichlorohydrin and epoxy system components

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