# | Title | Journal | Year | Citations |
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1 | W2X and W3X-L: Cost-Effective Approximations to W2 and W4 with kJ mol–1 Accuracy | Journal of Chemical Theory and Computation | 2015 | 106 |
2 | Model for the Exceptional Reactivity of Peroxiredoxins 2 and 3 with Hydrogen Peroxide | Journal of Biological Chemistry | 2011 | 97 |
3 | Assessment of Theoretical Procedures for Calculating Barrier Heights for a Diverse Set of Water-Catalyzed Proton-Transfer Reactions | Journal of Physical Chemistry A | 2012 | 92 |
4 | W1X-1 and W1X-2: W1-Quality Accuracy with an Order of Magnitude Reduction in Computational Cost | Journal of Chemical Theory and Computation | 2012 | 79 |
5 | Determination of Barrier Heights for Proton Exchange in Small Water, Ammonia, and Hydrogen Fluoride Clusters with G4(MP2)-Type, MPn, and SCS-MPn Procedures—A Caveat | Journal of Chemical Theory and Computation | 2012 | 71 |
6 | BDE261: A Comprehensive Set of High-Level Theoretical Bond Dissociation Enthalpies | Journal of Physical Chemistry A | 2012 | 62 |
7 | Modeling the Reactions Catalyzed by Coenzyme B12-Dependent Enzymes | Accounts of Chemical Research | 2010 | 58 |
8 | The Elusive 5′-Deoxyadenosyl Radical in Coenzyme-B12-Mediated Reactions | Journal of the American Chemical Society | 2012 | 57 |
9 | W3X: A Cost-Effective Post-CCSD(T) Composite Procedure | Journal of Chemical Theory and Computation | 2013 | 54 |
10 | Evaluation of the Heats of Formation of Corannulene and C60 by Means of High-Level Theoretical Procedures | Journal of Physical Chemistry A | 2013 | 50 |
11 | Frequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite Protocols | Journal of Chemical Theory and Computation | 2016 | 50 |
12 | NH and NCl homolytic bond dissociation energies and radical stabilization energies: An assessment of theoretical procedures through comparison with benchmark‐quality W2w data | International Journal of Quantum Chemistry | 2012 | 46 |
13 | Accurate Computation of Cohesive Energies for Small to Medium-Sized Gold Clusters | Journal of Chemical Theory and Computation | 2013 | 39 |
14 | Assessment of theoretical procedures for hydrogen-atom abstraction by chlorine, and related reactions | Theoretical Chemistry Accounts | 2011 | 37 |
15 | Effect of Substituents on the Strength of N–X (X = H, F, and Cl) Bond Dissociation Energies: A High-Level Quantum Chemical Study | Journal of Physical Chemistry A | 2011 | 32 |
16 | Effect of Protonation State and Interposed Connector Groups on Bond Dissociation Enthalpies of Alcohols and Related Systems | Journal of Physical Chemistry A | 2014 | 30 |
17 | One-Electron Reduction of N-Chlorinated and N-Brominated Species Is a Source of Radicals and Bromine Atom Formation | Chemical Research in Toxicology | 2011 | 29 |
18 | Approaches for Obtaining Accurate Rate Constants for Hydrogen Abstraction by a Chlorine Atom | Journal of Physical Chemistry A | 2012 | 29 |
19 | Heats of Formation for CrO, CrO2, and CrO3: An Extreme Challenge for Black-Box Composite Procedures | Journal of Chemical Theory and Computation | 2012 | 26 |
20 | On the Importance of Ribose Orientation in the Substrate Activation of the Coenzyme B12‐Dependent Mutases | Chemistry - A European Journal | 2009 | 23 |
21 | Effect of Substituents on the Preferred Modes of One-Electron Reductive Cleavage of N–Cl and N–Br Bonds | Journal of Physical Chemistry A | 2013 | 22 |
22 | Heteroatomic Deprotonation of Substituted Methanes and Methyl Radicals: Theoretical Insights into Structure, Stability, and Thermochemistry | Journal of Physical Chemistry A | 2012 | 21 |
23 | O - H Bond Dissociation Energies | Australian Journal of Chemistry | 2011 | 20 |
24 | The Carbon-Skeleton Rearrangement in Tropane Alkaloid Biosynthesis | Journal of the American Chemical Society | 2008 | 19 |
25 | Accurate quadruple-ζ basis-set approximation for double-hybrid density functional theory with an order of magnitude reduction in computational cost | Theoretical Chemistry Accounts | 2014 | 18 |
26 | Performance of Gradient-Corrected and Hybrid Density Functional Theory: Role of the Underlying Local Density Approximation and the Gradient Correction | Journal of Chemical Theory and Computation | 2012 | 16 |
27 | Ab Initio Investigation of the Fragmentation of 5,5-Diamino-Substituted 1,4,2-Oxathiazoles | Organic Letters | 2009 | 11 |
28 | On the Reaction of Glycerol Dehydratase with But‐3‐ene‐1,2‐diol | Chemistry - A European Journal | 2009 | 10 |
29 | Proton-bound homodimers involving second-row atoms | Theoretical Chemistry Accounts | 2012 | 7 |