Results 31 to 40 of about 1,659,912 (338)
Feshbach resonances in the F + H2O → HF + OH reaction
Nature Communications, 2020 Feshbach resonances are transiently trapped states along a reaction coordinate, providing a probe to the reaction’s potential energy surface (PES) but difficult to analyze in polyatomic systems. Here the authors identify Feshbach resonances in a reacting
Xiaoren Zhang +4 more
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Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods [PDF]
, 2011 The use of ring polymer molecular dynamics (RPMD) for the direct simulation of electron transfer (ET) reaction dynamics is analyzed in the context of Marcus theory, semiclassical instanton theory, and exact quantum dynamics approaches.
Ananth, Nandini +2 more
core +1 more source
Silylium ion migration dominated hydroamidation of siloxy-alkynes
Communications Chemistry, 2022 Silver-catalyzed hydroamidation of siloxy-alkynes is a successful approach for the hydroamidation of internal alkynes, however the mechanism of this reaction is poorly understood.
Heng-Ding Wang, Ling Jiang, Hong-Jun Fan
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Infrared spectroscopic signature of the structural diversity of the water heptamer
Cell Reports Physical Science, 2022 Summary: As a key species in understanding the hydrogen-bonding network transitions between liquid water and ice, the neutral water heptamer is a challenging experimental target, owing to the richness of low-lying isomers.
Yang-Yang Zhang +12 more
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Ultrafast Reaction Dynamics [PDF]
Physics Today, 1990 A decade ago this magazine devoted a special issue to laser chemistry (see PHYSICS TODAY, November 1980). One of the articles emphasized the importance of time scales in chemical reactions and the possible use of ultrashort lasser pulses to induce chemistry. Over the past 10 years new laser techniques, and gas-phase and molecular-beam experiments, have
Gruebele, Martin, Zewail, Ahmed H.
openaire +3 more sources
Observation of a phonon bottleneck in copper-doped colloidal quantum dots
Nature Communications, 2019 Weak electron-phonon scattering that can enable long-lived hot electrons in semiconductors is of interest in hot carrier solar cells. Here, the authors report copper-doped colloidal cadmium-selenide quantum dots with hot electron lifetime extended by ...
Lifeng Wang +6 more
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Vibrationally excited molecular hydrogen production from the water photochemistry
Nature Communications, 2021 Understanding the source of vibrationally excited molecular hydrogen is an essential prerequisite for understanding the chemical evolution in the universe.
Yao Chang +11 more
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Scaling limits of spatial compartment models for chemical reaction networks
, 2015 We study the effects of fast spatial movement of molecules on the dynamics of chemical species in a spatially heterogeneous chemical reaction network using a compartment model. The reaction networks we consider are either single- or multi-scale.
Pfaffelhuber, Peter, Popovic, Lea
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Relativistic Generalization of the Post-Prior Equivalence for Reaction of Composite Particles [PDF]
, 2001 In the non-relativistic description of the reaction of composite particles, the reaction matrix is independent of the choice of post or prior forms for the interaction.
Crater, Horace W., Wong, Cheuk-Yin
core +2 more sources
Nature Communications, 2017 It is commonly held that van der Waals wells are inevitable in chemical reactions. Here, the authors show that weak van der Waals forces in the entrance channel of a prototypical complex-forming reaction cause a van der Waals saddle instead, with ...
Zhitao Shen +6 more
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