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Theoretical Structure Determination of a Class of Heterocyclic Compounds: The Pyrazolidines

https://doi.org/10.2139/ssrn.4753791
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Influence of Proline Chirality on Neighbouring Azaproline Residue Stereodynamic Nitrogen Preorganization
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Stereoselectivity in the Addition of 1,3‐Dipolarophiles to 6‐Aryl‐1,5‐diazabicyclo[3.1.0]hexanes.
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Orally Active Thrombin Inhibitors. Part 2. Optimization of the P2‐Moiety.
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Effect of the damping function in dispersion corrected density functional theory
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Synthesis of nitropyrazolidines
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New Local Anesthetics II: Lidocaine Analogs Embodying Pyrazolidine as the Basic Moiety
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Statistical analysis of 13C and 15N NMR chemical shifts from GIAO/B3LYP/6‐311 + + G** calculated absolute shieldings
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Experimental measurements and theoretical calculations of the chemical shifts and coupling constants of three azines (benzalazine, acetophenoneazine and cinnamaldazine)
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Conformations of saturated five-membered heterocycles evaluated by MP2 calculations
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1,3-Dipolar cycloreversion of a 1,3,4-oxadiazolidine as a controlled azomethine imine surrogate for pyrazolidine synthesis
inferredcites →https://doi.org/10.1016/j.bmcl.2006.01.046openalex-extracted
Orally active thrombin inhibitors. Part 2: Optimization of the P2-moiety
inferredcites →https://doi.org/10.1016/j.bmcl.2016.11.032openalex-extracted
Synthesis of new morpholine-connected pyrazolidine derivatives and their antimicrobial, antioxidant, and cytotoxic activities
inferredcites →https://doi.org/10.1016/j.molstruc.2023.136813openalex-extracted
Synthesis of new pyrazolidines by [3+2] cycloaddition: Anticancer, antioxidant activities, and molecular docking studies
inferredcites →https://doi.org/10.1016/j.tetasy.2007.06.022openalex-extracted
Sterically hindered and completely arrested nitrogen inversion in pyrazolidines
inferredcites →https://doi.org/10.1021/acs.jctc.9b00143openalex-extracted
Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations
inferredcites →https://doi.org/10.1021/acs.joc.5b01668openalex-extracted
Cis–Trans Conformational Analysis of δ-Azaproline in Peptides
inferredcites →https://doi.org/10.1021/ja00839a011openalex-extracted
General definition of ring puckering coordinates
inferredcites →https://doi.org/10.1021/ja039643fopenalex-extracted
Aza-Amino Acid Scan for Rapid Identification of Secondary Structure Based on the Application of N-Boc-Aza1-Dipeptides in Peptide Synthesis
inferredcites →https://doi.org/10.1021/ja800009zopenalex-extracted
Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models
inferredcites →https://doi.org/10.1021/jacs.1c00503openalex-extracted
A Nanocrystal Catalyst Incorporating a Surface Bound Transition Metal to Induce Photocatalytic Sequential Electron Transfer Events
inferredcites →https://doi.org/10.1021/jo00325a012openalex-extracted
Relative reactivity and structures of benzoyltrimethylhydrazine and 1-benzoyl-2-methylpyrazolidine
inferredcites →https://doi.org/10.1021/jo0487303openalex-extracted
Impact of Azaproline on Peptide Conformation
inferredcites →https://doi.org/10.1021/jo102422xopenalex-extracted
Microwave-Assisted Solid-Phase Aza-peptide Synthesis: Aza Scan of a PKB/Akt Inhibitor Using Aza-arginine and Aza-proline Precursors
inferredcites →https://doi.org/10.1021/jo302320vopenalex-extracted
Synthesis of Enantioenriched Aza-Proline Derivatives through Gold(I)-Catalyzed Cyclization of Chiral α-Hydrazino Esters
inferredcites →https://doi.org/10.1023/b:rujo.0000010225.29775.d3openalex-extracted
Stereoselectivity in the Addition of 1,3-Dipolarophiles to 6-Aryl-1,5-diazabicyclo[3.1.0]hexanes
inferredcites →https://doi.org/10.1063/1.1674902openalex-extracted
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.447079openalex-extracted
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
inferredcites →https://doi.org/10.1063/1.464913openalex-extracted
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1070/mc2002v012n05abeh001626openalex-extracted
Sterically hindered nitrogen inversion in five-membered cyclic hydrazines
inferredcites →https://doi.org/10.1070/mc2003v013n03abeh001751openalex-extracted
Nitrogen chirality via the sterical veto of N inversion
inferredcites →https://doi.org/10.1080/00268977400100711openalex-extracted
Self-consistent perturbation theory of diamagnetism
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-extracted
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.3390/molecules23010003openalex-extracted
Synthesis of Non-Racemic Pyrazolines and Pyrazolidines by [3+2] Cycloadditions of Azomethine Imines
inferredcites →https://doi.org/10.5012/bkcs.2008.29.8.1467openalex-extracted
Discovery and Synthesis of Novel N-Cyanopyrazolidine and N-Cyanohexahydropyridazine Derivatives as Cathepsin Inhibitors
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