These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

125 related articles for article (PubMed ID: 32321267)

  • 1. A new diabatization scheme for direct quantum dynamics: Procrustes diabatization.
    Richings GW; Habershon S
    J Chem Phys; 2020 Apr; 152(15):154108. PubMed ID: 32321267
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Model space diabatization for quantum photochemistry.
    Li SL; Truhlar DG; Schmidt MW; Gordon MS
    J Chem Phys; 2015 Feb; 142(6):064106. PubMed ID: 25681886
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Direct diabatization based on nonadiabatic couplings: the N/D method.
    Varga Z; Parker KA; Truhlar DG
    Phys Chem Chem Phys; 2018 Nov; 20(41):26643-26659. PubMed ID: 30320314
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A scheme to interpolate potential energy surfaces and derivative coupling vectors without performing a global diabatization.
    Evenhuis C; Martínez TJ
    J Chem Phys; 2011 Dec; 135(22):224110. PubMed ID: 22168683
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Nonintuitive Diabatic Potential Energy Surfaces for Thioanisole.
    Li SL; Xu X; Hoyer CE; Truhlar DG
    J Phys Chem Lett; 2015 Sep; 6(17):3352-9. PubMed ID: 26267410
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Permutationally Restrained Diabatization by Machine Intelligence.
    Shu Y; Varga Z; Sampaio de Oliveira-Filho AG; Truhlar DG
    J Chem Theory Comput; 2021 Feb; 17(2):1106-1116. PubMed ID: 33405927
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces.
    Venghaus F; Eisfeld W
    J Chem Phys; 2016 Mar; 144(11):114110. PubMed ID: 27004865
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden Processes.
    Richings GW; Habershon S
    J Phys Chem A; 2020 Nov; 124(44):9299-9313. PubMed ID: 33104337
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatz.
    Wittenbrink N; Venghaus F; Williams D; Eisfeld W
    J Chem Phys; 2016 Nov; 145(18):184108. PubMed ID: 27846705
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Diabatization by Machine Intelligence.
    Shu Y; Truhlar DG
    J Chem Theory Comput; 2020 Oct; 16(10):6456-6464. PubMed ID: 32886513
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Improved algorithm for the direct dynamics variational multi-configurational Gaussian method.
    Christopoulou G; Freibert A; Worth GA
    J Chem Phys; 2021 Mar; 154(12):124127. PubMed ID: 33810697
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Improved on-the-Fly MCTDH Simulations with Many-Body-Potential Tensor Decomposition and Projection Diabatization.
    Richings GW; Robertson C; Habershon S
    J Chem Theory Comput; 2019 Feb; 15(2):857-870. PubMed ID: 30521337
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited
    Shu Y; Kryven J; Sampaio de Oliveira-Filho AG; Zhang L; Song GL; Li SL; Meana-Pañeda R; Fu B; Bowman JM; Truhlar DG
    J Chem Phys; 2019 Sep; 151(10):104311. PubMed ID: 31521070
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Neural network diabatization: A new
    Williams DMG; Eisfeld W
    J Chem Phys; 2018 Nov; 149(20):204106. PubMed ID: 30501255
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Electronic couplings for photo-induced processes from subsystem time-dependent density-functional theory: The role of the diabatization.
    Tölle J; Cupellini L; Mennucci B; Neugebauer J
    J Chem Phys; 2020 Nov; 153(18):184113. PubMed ID: 33187428
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Symmetric quasi-classical dynamics with quasi-diabatic propagation scheme.
    Sandoval C JS; Mandal A; Huo P
    J Chem Phys; 2018 Jul; 149(4):044115. PubMed ID: 30068182
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Localized diabatization applied to excitons in molecular crystals.
    Jin Z; Subotnik JE
    J Chem Phys; 2017 Jun; 146(24):244110. PubMed ID: 28668066
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Diabatic Molecular Orbitals, Potential Energies, and Potential Energy Surface Couplings by the 4-fold Way for Photodissociation of Phenol.
    Xu X; Yang KR; Truhlar DG
    J Chem Theory Comput; 2013 Aug; 9(8):3612-25. PubMed ID: 26584115
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Diabatic States of Molecules.
    Shu Y; Varga Z; Kanchanakungwankul S; Zhang L; Truhlar DG
    J Phys Chem A; 2022 Feb; 126(7):992-1018. PubMed ID: 35138102
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A Practical Diabatisation Scheme for Use with the Direct-Dynamics Variational Multi-Configuration Gaussian Method.
    Richings GW; Worth GA
    J Phys Chem A; 2015 Dec; 119(50):12457-70. PubMed ID: 26422169
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.