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Journal Abstract Search

174 related items for PubMed ID: 32835486

  • 1. Exclusive Neural Network Representation of the Quasi-Diabatic Hamiltonians Including Conical Intersections.
    Hong Y, Yin Z, Guan Y, Zhang Z, Fu B, Zhang DH.
    J Phys Chem Lett; 2020 Sep 17; 11(18):7552-7558. PubMed ID: 32835486
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  • 4. Quasi-diabatic representations of adiabatic potential energy surfaces coupled by conical intersections including bond breaking: a more general construction procedure and an analysis of the diabatic representation.
    Zhu X, Yarkony DR.
    J Chem Phys; 2012 Dec 14; 137(22):22A511. PubMed ID: 23249048
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  • 7. Permutationally Restrained Diabatization by Machine Intelligence.
    Shu Y, Varga Z, Sampaio de Oliveira-Filho AG, Truhlar DG.
    J Chem Theory Comput; 2021 Feb 09; 17(2):1106-1116. PubMed ID: 33405927
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  • 13. Enabling a Unified Description of Both Internal Conversion and Intersystem Crossing in Formaldehyde: A Global Coupled Quasi-Diabatic Hamiltonian for Its S0, S1, and T1 States.
    Guan Y, Xie C, Guo H, Yarkony DR.
    J Chem Theory Comput; 2021 Jul 13; 17(7):4157-4168. PubMed ID: 34132545
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  • 15. An improved quasi-diabatic representation of the 1, 2, 3(1)A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates.
    Zhu X, Malbon CL, Yarkony DR.
    J Chem Phys; 2016 Mar 28; 144(12):124312. PubMed ID: 27036453
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  • 16. On the nonadiabatic collisional quenching of OH(A) by H2: a four coupled quasi-diabatic state description.
    Malbon CL, Zhao B, Guo H, Yarkony DR.
    Phys Chem Chem Phys; 2020 Jun 24; 22(24):13516-13527. PubMed ID: 32538422
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  • 17. Up to a Sign. The Insidious Effects of Energetically Inaccessible Conical Intersections on Unimolecular Reactions.
    Xie C, Malbon CL, Guo H, Yarkony DR.
    Acc Chem Res; 2019 Feb 19; 52(2):501-509. PubMed ID: 30707546
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  • 18. Construction of diabatic energy surfaces for LiFH with artificial neural networks.
    Guan Y, Fu B, Zhang DH.
    J Chem Phys; 2017 Dec 14; 147(22):224307. PubMed ID: 29246076
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  • 19. A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamics.
    Valero R, Truhlar DG.
    J Phys Chem A; 2007 Sep 06; 111(35):8536-51. PubMed ID: 17691756
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  • 20. Permutation invariant polynomial neural network based diabatic ansatz for the (E + A) × (e + a) Jahn-Teller and Pseudo-Jahn-Teller systems.
    Guan Y, Yarkony DR, Zhang DH.
    J Chem Phys; 2022 Jul 07; 157(1):014110. PubMed ID: 35803819
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