Visualization of the Intrinsic Reaction
Coordinate and Global Reaction Route Map by Classical Multidimensional
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10.1021/acs.jctc.8b00176 · doi-reference
Universal Solvation Model Based on
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by the Bulk Dielectric Constant and Atomic Surface Tensions
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Molecular Interactions
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10.1021/cr00031a013 · doi-reference
The accuracy of the
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10.1016/0009-2614(96)00382-x · doi-reference
Balanced basis sets of split valence, triple zeta valence
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Long-range corrected hybrid density functionals with
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Energy-adjusted ab initio pseudopotentials for the second and third row
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Energy-adjusted ab
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Self-consistent molecular orbital
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Density-functional
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Effect of the Damping Function in
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A consistent and accurateab
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GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
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Rare-Earth-Catalyzed C–H Bond Addition of Pyridines to Olefins
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Regiodivergent
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by Half-Sandwich Rare-Earth Catalysts
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Exo-Selective
Intramolecular C–H Alkylation with 1,1-Disubstituted Alkenes
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10.1021/acscatal.2c03681 · doi-reference
α-C─H
Alkylation of Methyl Sulfides with
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10.1021/jacs.7b11245 · doi-reference
Divergent Synthesis of Multi-Substituted Aminotetralins via [4 +
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Catalytic C-H Bond
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Enantioselective [3 + 2] Annulation of Aldimines with Alkynes by
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Enantioselective Synthesis
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by Scandium-Catalyzed C-H Activation
10.1021/jacs.3c06482 · doi-reference
Modular Access
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10.1021/jacs.1c10743 · doi-reference
Construction of All-Carbon Quaternary
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of Imidazoles with 1,1-Disubstituted Alkenes
10.1021/jacs.9b12503 · doi-reference
Enantioselective C–H Bond
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Regio- and Diastereoselective
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A DFT Study on Sc-Catalyzed Diastereoselective
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Theoretical Insights into Rare-Earth-Catalyst-Controlled Diastereo-
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Mechanistic
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10.1021/acs.joc.0c03054 · doi-reference
Regioselective Hydropyridylation
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10.1021/jacs.5c06117 · doi-reference
Anti-Markovnikov
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Regioselective
C–H alkylation of anisoles with olefins by cationic imidazolin-2-iminato
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10.1039/d2sc06725k · doi-reference
Mechanism and Origin of Site Selectivity
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of Tertiary Anilines with Alkenes
10.1021/acs.inorgchem.2c03830 · doi-reference
Benzylic C–H
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10.1039/d1cc00306b · doi-reference
Synthesis
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by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes
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10.1021/acscatal.1c04657 · doi-reference
Scandium-Catalyzed
Benzylic C(sp(3))-H Alkenylation
of Tertiary Anilines with Alkynes
10.1021/acs.orglett.2c01329 · doi-reference
Cationic scandium
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Rare-Earth-Catalyzed Regiodivergent Hydrosilylation
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10.1021/acscatal.3c05747 · doi-reference
Recent Advances
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10.1002/cctc.202201083 · doi-reference
Total Synthesis
and Structure-Activity Investigation of the Marine Natural Product
Neopeltolide
10.1021/ja904604x · doi-reference
Scandium–Bipyridine-Catalyzed
Enantioselective
Aminolysis of meso-Epoxides
10.1002/chem.200601307 · doi-reference
