reviewTop 1% cited
Towards the online computer-aided design of catalytic pockets
Nature Chemistry · 2019 · Vol. 11(10) · pp. 872–879
Laura Falivene✉(King Abdullah University of Science and Technology)Zhen Cao(King Abdullah University of Science and Technology)Andrea Petta(University of Salerno)Luigi Serra(University of Salerno)Albert Poater(Universitat de Girona)Romina Oliva(Parthenope University of Naples)Vittorio Scarano(University of Salerno)Luigi Cavallo(King Abdullah University of Science and Technology)
Surface Chemistry and CatalysisCatalysis for Biomass ConversionAsymmetric Hydrogenation and CatalysisSteric effectsCatalysisChemistryReactivity (psychology)Substrate (aquarium)Perspective (graphical)Density functional theoryCombinatorial chemistryNanotechnologyComputational chemistry
MeSH terms
Density Functional TheoryMetalloproteinsComputer-Aided DesignImaging, Three-DimensionalBiocatalysis
Citations
1,225
FWCI
51.25
field-weighted impact
References
58
Percentile
100%
vs. same field & year
Citations per year
References
A Combined Experimental and Theoretical Study Examining the Binding of <i>N</i>-Heterocyclic Carbenes (NHC) to the Cp*RuCl (Cp* = η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>) Moiety: Insight into Stereoelectronic Differences between Unsaturated and Saturated NHC Ligands
Organometallics · 2003 · 455 citations
Steric effects of phosphorus ligands in organometallic chemistry and homogeneous catalysis
Chemical Reviews · 1977 · 4,743 citations
Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Journal of Chemical Theory and Computation · 2013 · 606 citations
A survey of Hammett substituent constants and resonance and field parameters
Chemical Reviews · 1991 · 8,462 citations
SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps
Organometallics · 2016 · 862 citations
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
Journal of Chemical Theory and Computation · 2019 · 3,979 citations
Steric and electronic effects in the bonding of N-heterocyclic ligands to transition metals
Journal of Organometallic Chemistry · 2005 · 467 citations
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