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New Quantum Mechanics-Based Three-Dimensional Molecular Descriptors for Use in QSSR Approaches: Application to Asymmetric Catalysis

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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A Priori Theoretical Prediction of Selectivity in Asymmetric Catalysis: Design of Chiral Catalysts by Using Quantum Molecular Interaction Fields
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Enantioselective addition of diethylzinc to benzaldehyde catalyzed by a small amount of chiral 2-amino-1-alcohols
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Novel Chirality Descriptors Derived from Molecular Topology
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QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology
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QSAR Study of Catalytic Asymmetric Reactions with Topological Indices
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Enantioselective addition of organozinc reagents to aldehydes
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Charge equilibration for molecular dynamics simulations
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Application of a universal force field to main group compounds
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An Ab Initio Molecular Orbital Study on the Amino Alcohol-Promoted Reaction of Dialkylzincs and Aldehydes
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Two-dimensional chemical exchange NMR in the solid: proton dynamics in phthalocyanine
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Modeling the Stereoselectivity of the β-Amino Alcohol-Promoted Addition of Dialkylzinc to Aldehydes
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Quantum Mechanical Models Correlating Structure with Selectivity: Predicting the Enantioselectivity of β-Amino Alcohol Catalysts in Aldehyde Alkylation
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New Insights into the Stereoselectivity of the Aryl Zinc Addition to Aldehydes
inferredcites →https://doi.org/10.1021/jm000941mopenalex-snapshot
GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jm0311240openalex-snapshot
Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors
inferredcites →https://doi.org/10.1021/jm049113+openalex-snapshot
Anchor−GRIND: Filling the Gap between Standard 3D QSAR and the GRid-INdependent Descriptors
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Computational Studies of Chiral Catalysts: A Comparative Molecular Field Analysis of an Asymmetric Diels−Alder Reaction with Catalysts Containing Bisoxazoline or Phosphinooxazoline Ligands
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Theoretical Prediction of the Enantiomeric Excess in Asymmetric Catalysis. An Alignment-Independent Molecular Interaction Field Based Approach
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Asymmetric Addition of Dimethylzinc to Benzaldehyde Catalyzed by (2S)-3-exo-(Dimethylamino)isobornenol. A Theoretical Study on the Origin of Enantioselection
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Springer-Verlag New York
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MolDIA: XML based system of molecular diversity analysis towards virtual screening and QSPR†
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In Silico Design in Homogeneous Catalysis Using Descriptor Modelling

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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