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Modeling and characterization of exciplexes in photoredox CO2 reduction: Insights from quantum chemistry and fluorescence spectroscopy

Chemexpress November 11, 2024 0 Comments

Interactions between excited state arenes and amines can lead to the formation of structures with distinct emission behavior. These excited state complexes or exciplexes can reduce the ability of the…

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AutoDesigner, a De Novo Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of D-Amino Acid Oxidase Inhibitors

Chemexpress November 10, 2024 0 Comments

The lead optimization stage of a drug discovery program generally involves the design, synthesis and assaying of hundreds to thousands of compounds. The design phase is usually carried out via…

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Shape-Assisted Self-Assembly

Chemexpress November 10, 2024 0 Comments

Self-assembly and molecular recognition are critical processes both in life and material sciences. They usually depend on strong, directional non-covalent interactions to gain specificity and to make long-range organization possible.…

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Salt-Enhanced Oxidative Addition of Iodobenzene to Pd: an Inter-play Between Cation, Anion and Pd-Pd Cooperative Effects

Chemexpress November 10, 2024 0 Comments

Halide salts facilitate the oxidative addition of organic halides to Pd(0). This phenomenon originates from a combina-tion of anionic, cationic and Pd-Pd cooperative effects. Exhaustive computational exploration at the DFT…

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Application of LFER to pKas and Dipole Moments of 1H and 2H Tautomers of Tetrazole: Mimicking Structure-Function Relation as a Chemical Education Perspective

Chemexpress November 10, 2024 0 Comments

Structure-function relation is a 155 year old concept to explain the dependence of biological activity of a drug molecule on its structure put forward by Crum-Brown and Fraser*. Similar line…

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3-Chlorosalicylic Acid (CAS 1829-32-9)

Uncategorized

3-(chloromethyl)-2-formyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile

Uncategorized

(3-Chloro-phenylamino)-phenyl-acetic acid

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3-chloro-6-isopropyl-1-benzothiophene-2-carboxylic acid

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