Search Results - "Skodje, RT"

Observation of Feshbach Resonances in the F + H 2 → HF + H Reaction by Qiu, Minghui, Ren, Zefeng, Che, Li, Dai, Dongxu, Harich, Steve A., Wang, Xiuyan, Yang, Xueming, Xu, Chuanxiu, Xie, Daiqian, Gustafsson, Magnus, Skodje, Rex T., Sun, Zhigang, Zhang, Dong H.

“…Reaction resonances, or transiently stabilized transition-state structures, have proven highly challenging to capture experimentally. Here, we used the highly…”
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Forward scattering due to slow-down of the intermediate in the H + HD → D + H 2 reaction by Yang, Xueming, Skodje, Rex T, Harich, Steven A, Dai, Dongxu, Wang, Chia C, Chao, Sheng Der

“…Quantum dynamical processes near the energy barrier that separates reactants from products influence the detailed mechanism by which elementary chemical…”
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Resonance-mediated chemical reaction: F+HD-->HF+D by Skodje, RT, Skouteris, D, Manolopoulos, DE, Lee, SH, Dong, F, Liu, K

“…Conclusive evidence is presented for the existence of a reactive resonance in the F+HD reaction. In a molecular beam experiment, the resonance appears in the…”
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Interference of quantized transition-state pathways in the H + D2 → D + HD chemical reaction by DONGXU DAI, WANG, Chia C, HARICH, Steven A, XIUYAN WANG, XUEMING YANG, SHENG DER CHAO, SKODJE, Rex T

“…The collision-energy dependence of the state-resolved differential cross section at a specific backward-scattering angle for the reaction H + D2 --> D + HD is…”
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A Simple Picture for the Rotational Enhancement of the Rate for the F + HCl → HF + Cl Reaction:  A Dynamical Study Using a New ab initio Potential Energy Surface by Hayes, Michael Y, Deskevich, Michael P, Nesbitt, David J, Takahashi, Kaito, Skodje, Rex T

“…Quantum scattering calculations for the reaction F + HCl → HF + Cl are performed on a new ground-state ab initio potential energy surface. The reagent rotation…”
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An improved potential energy surface for the F+H 2 reaction by Hayes, Michael, Gustafsson, Magnus, Mebel, Alexander M., Skodje, Rex T.

“…A new ground state potential energy surface has been developed for the F+H 2 reaction. Using the UCCSD(T) method, ab initio calculations were performed for 786…”
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The observation of quantum bottleneck states by Skodje, Rex T., Yang, Xueming

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A Single Molecule View of Bistilbene Photoisomerization on a Surface Using Scanning Tunneling Microscopy by Tsai, Chih-Song, Wang, Juen-Kai, Skodje, Rex T, Lin, Jiing-Chyuan

“…The advent of scanning tunneling microscopy (STM) has permitted a detailed atomic view of organic molecules adsorbed on solid surfaces. In this work, we make…”
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Quasi-Classical Trajectory Studies of the Insertion Reactions S( 1 D) + H 2 , HD, and D 2 by Chao, Sheng Der, Skodje, Rex T.

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Signatures of reactive resonance: three case studies by Der Chao, Sheng, Skodje, Rex T.

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Diffusion of clusters of atoms and vacancies on surfaces and the dynamics of diffusion-driven coarsening by Sholl, DS, Skodje, RT

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Geometrical Simplification of Complex Kinetic Systems by Skodje, Rex T, Davis, Michael J

“…The use of low-dimensional manifolds to simplify the description of complicated systems of kinetics equations is investigated. Many models exhibit a generic…”
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The search for resonance signatures in H+D 2 reaction dynamics by Chao, Sheng Der, Skodje, Rex T

“…To investigate the recent report of the observation of a reactive resonance in the title reaction, we have calculated the ro-vibrationally state-resolved…”
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Late-stage coarsening of adlayers by dynamic cluster coalescence by Sholl, David S., Skodje, Rex T.

“…We consider the late stages of adlayer coarsening when this process is dominated by cluster diffusion and coalescence. The growth rate of the average cluster…”
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Kinetics of Multicomponent Nanosize Clusters on Solid Surfaces by Brunelli, David N, Skodje, Rex T

“…We discuss the kinetics of multicomponent liquidlike clusters adsorbed onto solid surfaces. In this work, the rate expressions governing the growth and decay…”
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The Adiabatic Theory of Heavy-Light-Heavy Chemical Reactions by Skodje, R T

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Sequential Two-Photon Dissociation of Atmospheric Water by Goss, Lisa M, Vaida, Veronica, Brault, James W, Skodje, Rex T

“…A new mechanism is proposed for the atmospheric production of OH radicals. The mechanism involves a sequential two-photon absorption by atmospheric H2O…”
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Control of transition state spectra: a variational algorithm by Skodje, Rex T., Sadeghi, R., Krause, Jeffrey L.

“…We propose to control the characteristics of transition state spectra by designing the initial state of a photochemical reaction. The method proceeds by…”
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Solvent-induced morphology changes in thin silver films by Roark, Shane E., Semin, David J., Lo, Alan, Skodje, Rex T., Rowlen, Kathy L.

“…Thin Ag films supported on dielectric materials have been extremely popular as surface-enhanced Raman scattering (SERS) substrates. In an effort to…”
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A model surface reaction on stepped surfaces by Sholl, David S., Skodje, Rex T.

“…Lattice gas models are ideal for studying the properties of adsorbates on inhomogeneous surfaces. The primary technique for examining these models, Monte Carlo…”
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