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 *

303 related articles for article (PubMed ID: 29732893)

  • 21. Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations.
    Curchod BF; Tavernelli I; Rothlisberger U
    Phys Chem Chem Phys; 2011 Feb; 13(8):3231-6. PubMed ID: 21264437
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Predicting Molecular Photochemistry Using Machine-Learning-Enhanced Quantum Dynamics Simulations.
    Richings GW; Habershon S
    Acc Chem Res; 2022 Jan; 55(2):209-220. PubMed ID: 34982533
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis↔Trans Azobenzene Photoisomerization.
    Yue L; Yu L; Xu C; Lei Y; Liu Y; Zhu C
    Chemphyschem; 2017 May; 18(10):1274-1287. PubMed ID: 28213950
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials.
    Nelson T; Fernandez-Alberti S; Roitberg AE; Tretiak S
    Acc Chem Res; 2014 Apr; 47(4):1155-64. PubMed ID: 24673100
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization.
    Tamura H; Nanbu S; Ishida T; Nakamura H
    J Chem Phys; 2006 Feb; 124(8):084313. PubMed ID: 16512722
    [TBL] [Abstract][Full Text] [Related]  

  • 26. An efficient approximate algorithm for nonadiabatic molecular dynamics.
    Hanasaki K; Kanno M; Niehaus TA; Kono H
    J Chem Phys; 2018 Dec; 149(24):244117. PubMed ID: 30599729
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Sub-500 fs electronically nonadiabatic chemical dynamics of energetic molecules from the S
    Ghosh J; Gajapathy H; Konar A; Narasimhaiah GM; Bhattacharya A
    J Chem Phys; 2017 Nov; 147(20):204302. PubMed ID: 29195277
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Comparing the Excited State Dynamics of CH
    Antwi E; Ratliff JM; Ashfold MNR; Karsili TNV
    J Phys Chem A; 2022 Sep; 126(36):6236-6243. PubMed ID: 36067494
    [No Abstract]   [Full Text] [Related]  

  • 29. Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods.
    Hu D; Liu YF; Sobolewski AL; Lan Z
    Phys Chem Chem Phys; 2017 Jul; 19(29):19168-19177. PubMed ID: 28702524
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. Accurate nonadiabatic dynamics.
    Guo H; Yarkony DR
    Phys Chem Chem Phys; 2016 Sep; 18(38):26335-26352. PubMed ID: 27711605
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Ab initio multiple spawning dynamics study of dimethylnitramine and dimethylnitramine-Fe complex to model their ultrafast nonadiabatic chemistry.
    Bera A; Ghosh J; Bhattacharya A
    J Chem Phys; 2017 Jul; 147(4):044308. PubMed ID: 28764390
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping.
    Li X; Xie Y; Hu D; Lan Z
    J Chem Theory Comput; 2017 Oct; 13(10):4611-4623. PubMed ID: 28862858
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Nonadiabatic Dynamics Algorithms with Only Potential Energies and Gradients: Curvature-Driven Coherent Switching with Decay of Mixing and Curvature-Driven Trajectory Surface Hopping.
    Shu Y; Zhang L; Chen X; Sun S; Huang Y; Truhlar DG
    J Chem Theory Comput; 2022 Mar; 18(3):1320-1328. PubMed ID: 35104136
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Excited-state E → Z photoisomerization mechanism unveiled by ab initio nonadiabatic molecular dynamics simulation for hemithioindigo-hemistilbene.
    Yang M; Huo C; Li A; Lei Y; Yu L; Zhu C
    Phys Chem Chem Phys; 2017 May; 19(19):12185-12198. PubMed ID: 28447676
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Dynamics at Conical Intersections.
    Schuurman MS; Stolow A
    Annu Rev Phys Chem; 2018 Apr; 69():427-450. PubMed ID: 29490199
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. Role of Multistate Intersections in Photochemistry.
    Shen L; Xie B; Li Z; Liu L; Cui G; Fang WH
    J Phys Chem Lett; 2020 Oct; 11(20):8490-8501. PubMed ID: 32787313
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The three-dimensional nonadiabatic dynamics calculation of DH(2)(+) and HD(2)(+) systems by using the trajectory surface hopping method based on the Zhu-Nakamura theory.
    Li B; Han KL
    J Chem Phys; 2008 Mar; 128(11):114116. PubMed ID: 18361563
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Trajectory surface hopping molecular dynamics simulations for retinal protonated Schiff-base photoisomerization.
    Liu Y; Zhu C
    Phys Chem Chem Phys; 2021 Oct; 23(41):23861-23874. PubMed ID: 34651159
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 16.