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  1. Article ; Online: Automatic Clustering of Excited-State Trajectories: Application to Photoexcited Dynamics.

    Acheson, Kyle / Kirrander, Adam

    Journal of chemical theory and computation

    2023  Volume 19, Issue 18, Page(s) 6126–6138

    Abstract: We introduce automatic clustering as a computationally efficient tool for classifying and interpreting trajectories from simulations of photo-excited dynamics. Trajectories are treated as time-series data, with the features for clustering selected by ... ...

    Abstract We introduce automatic clustering as a computationally efficient tool for classifying and interpreting trajectories from simulations of photo-excited dynamics. Trajectories are treated as time-series data, with the features for clustering selected by variance mapping of normalized data. The L
    Language English
    Publishing date 2023-09-13
    Publishing country United States
    Document type Journal Article
    ISSN 1549-9626
    ISSN (online) 1549-9626
    DOI 10.1021/acs.jctc.3c00776
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Robust Inversion of Time-Resolved Data via Forward-Optimization in a Trajectory Basis.

    Acheson, Kyle / Kirrander, Adam

    Journal of chemical theory and computation

    2023  Volume 19, Issue 10, Page(s) 2721–2734

    Abstract: An inversion method for time-resolved data from ultrafast experiments is introduced, based on forward-optimization in a trajectory basis. The method is applied to experimental data from X-ray scattering of the photochemical ring-opening reaction of 1,3- ... ...

    Abstract An inversion method for time-resolved data from ultrafast experiments is introduced, based on forward-optimization in a trajectory basis. The method is applied to experimental data from X-ray scattering of the photochemical ring-opening reaction of 1,3-cyclohexadiene and electron diffraction of the photodissociation of CS
    Language English
    Publishing date 2023-05-02
    Publishing country United States
    Document type Journal Article
    ISSN 1549-9626
    ISSN (online) 1549-9626
    DOI 10.1021/acs.jctc.2c01113
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Multichannel photodissociation dynamics in CS

    Razmus, Weronika O / Acheson, Kyle / Bucksbaum, Philip / Centurion, Martin / Champenois, Elio / Gabalski, Ian / Hoffman, Matthias C / Howard, Andrew / Lin, Ming-Fu / Liu, Yusong / Nunes, Pedro / Saha, Sajib / Shen, Xiaozhe / Ware, Matthew / Warne, Emily M / Weinacht, Thomas / Wilkin, Kyle / Yang, Jie / Wolf, Thomas J A /
    Kirrander, Adam / Minns, Russell S / Forbes, Ruaridh

    Physical chemistry chemical physics : PCCP

    2022  Volume 24, Issue 25, Page(s) 15416–15427

    Abstract: The structural dynamics of photoexcited gas-phase carbon disulfide ( ... ...

    Abstract The structural dynamics of photoexcited gas-phase carbon disulfide (CS
    Language English
    Publishing date 2022-06-29
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d2cp01268e
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Transient vibration and product formation of photoexcited CS

    Gabalski, Ian / Sere, Malick / Acheson, Kyle / Allum, Felix / Boutet, Sébastien / Dixit, Gopal / Forbes, Ruaridh / Glownia, James M / Goff, Nathan / Hegazy, Kareem / Howard, Andrew J / Liang, Mengning / Minitti, Michael P / Minns, Russell S / Natan, Adi / Peard, Nolan / Rasmus, Weronika O / Sension, Roseanne J / Ware, Matthew R /
    Weber, Peter M / Werby, Nicholas / Wolf, Thomas J A / Kirrander, Adam / Bucksbaum, Philip H

    The Journal of chemical physics

    2022  Volume 157, Issue 16, Page(s) 164305

    Abstract: We have observed details of the internal motion and dissociation channels in photoexcited carbon disulfide ( ... ...

    Abstract We have observed details of the internal motion and dissociation channels in photoexcited carbon disulfide (CS
    Language English
    Publishing date 2022-10-31
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/5.0113079
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Bonn / Germany

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  5. Article ; Online: Strong-field physics: general discussion.

    Acheson, Kyle / Allum, Felix / Das, Rituparna / Dixit, Gopal / Doan, Huan / Fasshauer, Elke / Ge, Lingfeng / Grell, Gilbert / Ivanov, Misha / Kornilov, Oleg / Küpper, Jochen / Kuttner, Christian / Martín, Fernando / Maxwell, Andrew / Mayer, Nicola / Palacios, Alicia / Pratt, Stephen / Röder, Anja / Rohringer, Nina /
    Rouzée, Arnaud / Suzuki, Toshinori / Titov, Evgenii / Tremblay, Jean Christophe / Yong, Haiwang / Young, Linda

    Faraday discussions

    2020  Volume 228, Page(s) 470–487

    Language English
    Publishing date 2020-07-08
    Publishing country England
    Document type Journal Article
    ISSN 1364-5498
    ISSN (online) 1364-5498
    DOI 10.1039/d1fd90025k
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

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