ArticleChemPlusChem2021
Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy.
Article in ChemPlusChem, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
7 citing papers in PubMed.
- Development of a Predictive Model for N-Dealkylation of Amine Contaminants Based on Machine Learning Methods.Toxics · 2024Article
- Accuracy Meets Feasibility for the Structures and Rotational Constants of the Molecular Bricks of Life: A Joint Venture of DFT and Wave-Function Methods.The journal of physical chemistry letters · 2023Article
- Toward Spectroscopic Accuracy for the Structures of Large Molecules at DFT Cost: Refinement and Extension of the Nano-LEGO Approach.The journal of physical chemistry. A · 2023Article
- Tautomeric Equilibrium in 1-Benzamidoisoquinoline Derivatives.Molecules (Basel, Switzerland) · 2023Article
- Shape-Shifting Molecules: Unveiling the Valence Tautomerism Phenomena in Bare Barbaralones.Angewandte Chemie (International ed. in English) · 2022Article
- Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in Solution.ACS omega · 2022Article
- Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy.ChemPlusChem · 2021Article
Corrections and comments
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Authors and funding
9 authors.
Funding
Abstract
New spectroscopic experiments and state-of-the-art quantum-chemical computations of creatinine in different aggregation states unequivocally unveiled a significant tuning of tautomeric equilibrium by the environment: from the exclusive presence of the amine tautomer in the solid state and aqueous solution to a mixture of amine and imine tautomers in the gas phase. Quantum-chemical calculations predict the amine species as the most stable tautomer by about 30 kJ mol
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Registered trials
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