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DFT studies of the conversion of four mesylate esters during reaction with ammonia

https://doi.org/10.1007/s00894-013-1835-7
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Verbindung von Acetobromglucose und Pyridin
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Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F
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MNDO Study of reaction pathways for SN2 reactions. Menschutkin reaction potential energy surfaces
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Mechanism of nucleophilic substitutions at phenacyl bromides with pyridines. A computational study of intermediate and transition state
inferredcites →https://doi.org/10.1016/j.carres.2004.03.013openalex-snapshot
New class of quaternary ammonium salts, derivatives of methyl d-glucopyranosides
inferredcites →https://doi.org/10.1016/j.carres.2004.06.025openalex-snapshot
Synthesis and structure of selected quaternary N-(1,4-anhydro-5-deoxy-2,3-O-isopropylidene-d,l-ribitol-5-yl)ammonium salts
inferredcites →https://doi.org/10.1016/j.carres.2006.04.036openalex-snapshot
Preparation, single-crystal X-ray diffraction and high-resolution NMR spectroscopic analyses of N-[(1,4-anhydro-5-deoxy-2,3-O-isopropylidene-d,l-ribitol)-5-yl]trimethylammonium iodide
inferredcites →https://doi.org/10.1016/j.comptc.2011.06.029openalex-snapshot
Theoretical studies of the formation of quaternary ammonium mesylates
inferredcites →https://doi.org/10.1016/j.comptc.2012.02.016openalex-snapshot
Theoretical studies of the formation of quaternary pyridinium mesylates
inferredcites →https://doi.org/10.1016/j.comptc.2012.09.016openalex-snapshot
Studies of the formation of N-substituted pyridinium mesylates: A theoretical approach
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3-Hydroxymuscarines from L-Rhamnose
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Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations
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J. Mol. Struct. (Theochem)
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Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions
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Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
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Characterization of C-H-O Hydrogen Bonds on the Basis of the Charge Density
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Analysis of solvent effects on the Menshutkin reaction
inferredcites →https://doi.org/10.1021/ja00074a036openalex-snapshot
A two-dimensional energy surface for a type II SN2 reaction in aqueous solution
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Is the avoided crossing state a good approximation for the transition state of a chemical reaction? An analysis of Menschutkin and ionic SN2 reactions
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Conformational analysis of the sugar ring in nucleosides and nucleotides. New description using the concept of pseudorotation
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Free-Energy Surfaces for Liquid-Phase Reactions and Their Use To Study the Border Between Concerted and Nonconcerted α,β-Elimination Reactions of Esters and Thioesters
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Solvent Effects on Methyl Transfer Reactions. 1. The Menshutkin Reaction
inferredcites →https://doi.org/10.1021/jm00009a016openalex-snapshot
In Vitro Muscarinic Activity of Spiromuscarones and Related Analogs
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Conformational Analysis of Furanose Rings with PSEUROT: Parametrization for Rings Possessing the Arabino, Lyxo, Ribo, and Xylo Stereochemistry and Application to Arabinofuranosides
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Evidence for Different Types of Water Participation in the Solvolysis of 1-Adamantyl, tert- Butyl, and Methyl Chlorides from Density Functional Theory Computations
inferredcites →https://doi.org/10.1021/jp000497zopenalex-snapshot
Adiabatic Connection for Kinetics
inferredcites →https://doi.org/10.1021/jp0108364openalex-snapshot
Effects of Solvation on the Pairing of Electrons in a Series of Simple Molecules and in the Menshutkin Reaction
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New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)
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Exploring Solvent Effects upon the Menshutkin Reaction Using a Polarizable Force Field
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MCSCF Study of the SN2 Menshutkin Reaction in Aqueous Solution within the Polarizable Continuum Model
inferredcites →https://doi.org/10.1021/jp983781nopenalex-snapshot
Solvation of the Menshutkin Reaction: A Rigorous Test of the Effective Fragment Method
inferredcites →https://doi.org/10.1023/a:1008193805436openalex-snapshot
Molden: a pre- and post-processing program for molecular and electronic structures*
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Semiempirical study of the solvent effect on the Menshutkin reaction
inferredcites →https://doi.org/10.1063/1.1677527openalex-snapshot
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
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Density-functional thermochemistry. III. The role of exact exchange
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A general methodology for quantum modeling of free-energy profile of reactions in solution: An application to the Menshutkin NH3+CH3Cl reaction in water
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Evaluated Gas Phase Basicities and Proton Affinities of Molecules; Heats of Formation of Protonated Molecules
inferredcites →https://doi.org/10.1080/07328300902887680openalex-snapshot
Synthesis of Some Quaternary N-(1,4-anhydro-5-deoxy-D, L-ribitol-5-yl)ammonium Salts
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1515/zpch-1890-0546openalex-snapshot
Beiträge zur Kenntnis der Affinitätskoeffizienten der Alkylhaloide und der organischen Amine

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inferred← citeshttps://doi.org/10.1007/s00894-013-1940-7openalex-snapshot
DFT studies of conversion of methyl chloride and three substituted chloromethyl tetrahydrofuran derivatives during reaction with trimethylamine
inferred← citeshttps://doi.org/10.1007/s00894-013-2003-9openalex-snapshot
Theoretical investigations on the synthesis mechanism of cyanuric acid from NH3 and CO2
inferred← citeshttps://doi.org/10.1016/j.jmgm.2014.06.009openalex-snapshot
The conformational behavior, geometry and energy parameters of Menshutkin-like reaction of O-isopropylidene-protected glycofuranoid mesylates in view of DFT calculations
inferred← citeshttps://doi.org/10.1016/j.jmgm.2014.12.004openalex-snapshot
DFT studies of the formation of furanoid derivatives of ammonium chlorides
inferred← citeshttps://doi.org/10.1016/j.jmgm.2018.01.007openalex-snapshot
Threocytidines: Insight into the Conformational Preferences of Artificial Threose Nucleic Acid (TNA) Building Blocks in B3LYP Studies
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Perfluorinated compounds exposure and atherogenic risk characteristics in a high-fat diet condition: In vitro/in vivo models and population panel study
inferred← citeshttps://doi.org/10.1139/cjc-2023-0175openalex-snapshot
First-principles study of solvent polarity effects in the Menshutkin reaction
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