The tautomerization dynamics of porphycene and its isotopomers – Concerted versus stepwise mechanisms
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference35 articles.
1. Characterization of Fluxional Hydrogen-Bonded Complexes of Acetic Acid and Acetate by NMR: Geometries and Isotope and Solvent Effects
2. Multidimensional quantum dynamics and infrared spectroscopy of hydrogen bonds
3. 1H/2H NMR Studies of Geometric H/D Isotope Effects on the Coupled Hydrogen Bonds in Porphycene Derivatives
4. Geometric H/D Isotope Effects and Cooperativity of the Hydrogen Bonds in Porphycene
5. The geometric (H/D) isotope effect in porphycene: grid-based Born–Oppenheimer vibrational wavefunctions vs. multi-component molecular orbital theory
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1. Concerted versus stepwise mechanisms of cyclic proton transfer: Experiments, simulations, and current challenges;Chinese Physics B;2023-01-01
2. Matrix isolation studies of vibrational structure of hemiporphycene;Journal of Molecular Structure;2020-10
3. Influence of local microenvironment on the double hydrogen transfer in porphycene;Physical Chemistry Chemical Physics;2020
4. Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method;Journal of Visualized Experiments;2019-07-19
5. Enhanced QM/MM sampling for free energy calculation of chemical reactions: A case study of double proton transfer;The Journal of Chemical Physics;2019-01-28
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