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 *

113 related articles for article (PubMed ID: 39401127)

  • 1. Quasi-Diabatization Based on Minimizing Derivative Couplings in a Limited Configuration Space: Elimination of Boundary Condition Dependence.
    Li Z; Zhang C; Shen Y; Wang L
    J Phys Chem Lett; 2024 Oct; 15(42):10544-10553. PubMed ID: 39401127
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: nonadiabatic derivative couplings and diabatic electronic couplings.
    Subotnik JE; Alguire EC; Ou Q; Landry BR; Fatehi S
    Acc Chem Res; 2015 May; 48(5):1340-50. PubMed ID: 25932499
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Two-state diabatic potential energy surfaces of ClH
    Yin Z; Guan Y; Fu B; Zhang DH
    Phys Chem Chem Phys; 2019 Sep; 21(36):20372-20383. PubMed ID: 31498342
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Construction of diabatic Hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 cluster.
    Mukherjee S; Bandyopadhyay S; Paul AK; Adhikari S
    J Phys Chem A; 2013 Apr; 117(16):3475-95. PubMed ID: 23521047
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. 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]  

  • 9. 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]  

  • 10. Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF--->OHF+e-.
    Gómez-Carrasco S; Aguado A; Paniagua M; Roncero O
    J Chem Phys; 2006 Oct; 125(16):164321. PubMed ID: 17092087
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole.
    Li SL; Truhlar DG
    J Chem Phys; 2017 Feb; 146(6):064301. PubMed ID: 28201879
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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; 11(18):7552-7558. PubMed ID: 32835486
    [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. ADT: A Generalized Algorithm and Program for Beyond Born-Oppenheimer Equations of "
    Naskar K; Mukherjee S; Mukherjee B; Ravi S; Mukherjee S; Sardar S; Adhikari S
    J Chem Theory Comput; 2020 Mar; 16(3):1666-1680. PubMed ID: 32003993
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A beyond Born-Oppenheimer treatment of C
    Mukherjee S; Ravi S; Naskar K; Sardar S; Adhikari S
    J Chem Phys; 2021 Mar; 154(9):094306. PubMed ID: 33685135
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Construction of Beyond Born-Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C
    Hazra S; Mukherjee S; Ravi S; Sardar S; Adhikari S
    Chemphyschem; 2022 Dec; 23(23):e202200482. PubMed ID: 36052444
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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; 137(22):22A511. PubMed ID: 23249048
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Numerical Equivalence of Diabatic and Adiabatic Representations in Diatomic Molecules.
    Brady RP; Drury C; Yurchenko SN; Tennyson J
    J Chem Theory Comput; 2024 Mar; 20(5):2127-2139. PubMed ID: 38171539
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Quasi-Diabatic Scheme for Nonadiabatic On-the-Fly Simulations.
    Zhou W; Mandal A; Huo P
    J Phys Chem Lett; 2019 Nov; 10(22):7062-7070. PubMed ID: 31665889
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Constructing diabatic representations using adiabatic and approximate diabatic data--Coping with diabolical singularities.
    Zhu X; Yarkony DR
    J Chem Phys; 2016 Jan; 144(4):044104. PubMed ID: 26827199
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.