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)

  • 41. Nonadiabatic Photodissociation of the Hydroxymethyl Radical from the 2(2)A State. Surface Hopping Simulations Based on a Full Nine-Dimensional Representation of the 1,2,3(2)A Potential Energy Surfaces Coupled by Conical Intersections.
    Malbon CL; Yarkony DR
    J Phys Chem A; 2015 Jul; 119(28):7498-509. PubMed ID: 26023886
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Conservation of the pure adiabatic state in Ehrenfest dynamics of the photoisomerization of molecules.
    Miyamoto Y; Tateyama Y; Oyama N; Ohno T
    Sci Rep; 2015 Dec; 5():18220. PubMed ID: 26658633
    [TBL] [Abstract][Full Text] [Related]  

  • 43. πσ*-Mediated Nonadiabatic Tunneling Dynamics of Thiophenols in S
    Kim J; Woo KC; Kim KK; Kim SK
    J Phys Chem A; 2022 Dec; 126(51):9594-9604. PubMed ID: 36534791
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Ab initio nonadiabatic dynamics study of ultrafast radiationless decay over conical intersections illustrated on the Na3F cluster.
    Mitrić R; Bonacić-Koutecký V; Pittner J; Lischka H
    J Chem Phys; 2006 Jul; 125(2):24303. PubMed ID: 16848580
    [TBL] [Abstract][Full Text] [Related]  

  • 45. All-Atom Nonadiabatic Dynamics Simulation of Hybrid Graphene Nanoribbons Based on Wannier Analysis and Machine Learning.
    Wang Z; Dong J; Qiu J; Wang L
    ACS Appl Mater Interfaces; 2022 Jan; ():. PubMed ID: 35100503
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Semiclassical theory of electronically nonadiabatic chemical dynamics: incorporation of the Zhu-Nakamura theory into the frozen Gaussian propagation method.
    Kondorskiy A; Nakamura H
    J Chem Phys; 2004 May; 120(19):8937-54. PubMed ID: 15267829
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Electronic structure calculations and nonadiabatic dynamics simulations of excited-state relaxation of Pigment Yellow 101.
    Che M; Gao YJ; Zhang Y; Xia SH; Cui G
    Phys Chem Chem Phys; 2018 Feb; 20(9):6524-6532. PubMed ID: 29446425
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Construction of Highly Accurate Machine Learning Potential Energy Surfaces for Excited-State Dynamics Simulations Based on Low-Level Data Sets.
    Li S; Xie BB; Yin BW; Liu L; Shen L; Fang WH
    J Phys Chem A; 2024 Jul; 128(28):5516-5524. PubMed ID: 38954640
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Ab Initio Trajectory Study on Triplet Ketene Photodissociation via Statistical Sampling of the Crossing Seam.
    Ogihara Y; Yamamoto T; Kato S
    J Chem Theory Comput; 2011 Aug; 7(8):2507-19. PubMed ID: 26606625
    [TBL] [Abstract][Full Text] [Related]  

  • 50. α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces.
    Snyder JW; Parrish RM; Martínez TJ
    J Phys Chem Lett; 2017 Jun; 8(11):2432-2437. PubMed ID: 28513165
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Photoinduced nonadiabatic decay and dissociation dynamics of dimethylnitramine.
    Zhuang X; Wang J; Lan Z
    J Phys Chem A; 2013 Jun; 117(23):4785-93. PubMed ID: 23672370
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Machine learning of double-valued nonadiabatic coupling vectors around conical intersections.
    Richardson JO
    J Chem Phys; 2023 Jan; 158(1):011102. PubMed ID: 36610946
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations.
    Li CX; Guo WW; Xie BB; Cui G
    J Chem Phys; 2016 Aug; 145(7):074308. PubMed ID: 27544106
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Electronically nonadiabatic wave packet propagation using frozen Gaussian scattering.
    Kondorskiy AD; Nanbu S
    J Chem Phys; 2015 Sep; 143(11):114103. PubMed ID: 26395683
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol.
    Xie W; Domcke W
    J Chem Phys; 2017 Nov; 147(18):184114. PubMed ID: 29141421
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations.
    Svoboda O; Hollas D; Ončák M; Slavíček P
    Phys Chem Chem Phys; 2013 Jul; 15(27):11531-42. PubMed ID: 23748912
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Monomeric adenine decay dynamics influenced by the DNA environment.
    Lu Y; Lan Z; Thiel W
    J Comput Chem; 2012 May; 33(13):1225-35. PubMed ID: 22415548
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Nonadiabatic Renner-Teller quantum dynamics of OH(X
    Gamallo P; Akpinar S; Defazio P; Petrongolo C
    Phys Chem Chem Phys; 2017 Feb; 19(6):4454-4461. PubMed ID: 28120967
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Predicting Kinetics and Dynamics of Spin-Dependent Processes.
    Dergachev ID; Dergachev VD; Rooein M; Mirzanejad A; Varganov SA
    Acc Chem Res; 2023 Apr; 56(7):856-866. PubMed ID: 36926853
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Photophysics of Auramine-O: electronic structure calculations and nonadiabatic dynamics simulations.
    Xie BB; Xia SH; Chang XP; Cui G
    Phys Chem Chem Phys; 2016 Jan; 18(1):403-13. PubMed ID: 26615798
    [TBL] [Abstract][Full Text] [Related]  

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