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Comparison of G3 and G4 Theories for Radical Addition and Abstraction Reactions
Online Contents | 2009| -
How Well Can Theory Predict Addition–Fragmentation Equilibrium Constants in RAFT Polymerization?
Online Contents | 2009| -
Calculating molecular vibrational spectra beyond the harmonic approximation
Online Contents | 2008| -
Which side-reactions compromise nitroxide mediated polymerization?
National licenceRoyal Society of Chemistry | 2013| -
Benchmark Calculations of Absolute Reduction Potential of Ferricinium/Ferrocene Couple in Nonaqueous Solutions
American Chemical Society | 2010| -
EDF2: A Density Functional for Predicting Molecular Vibrational Frequencies
Online Contents | 2004| -
Theoretical studies of isomerization barriers of 2-pentoxy radical and its products
Online Contents | 2003| -
Inherent and transferable stabilization energies of carbon- and heteroatom-centred radicals on the same relative scale and their applications
National licenceRoyal Society of Chemistry | 2014| -
Effects of Chemical Structure on the Thermodynamic Efficiency of Radical Chain Carriers for Organic Synthesis
American Chemical Society | 2011| -
First Principles Prediction of The Propagation Rate Coefficients of Acrylic and Vinyl Esters: Are We There Yet?
American Chemical Society | 2010| -
How Accurate Are Approximate Methods for Evaluating Partition Functions for Hindered Internal Rotations?
American Chemical Society | 2008| -
Estimation of Standard Reduction Potentials of Halogen Atoms and Alkyl Halides
American Chemical Society | 2011|
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