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 *

182 related articles for article (PubMed ID: 38023495)

  • 1. Multiconfigurational photodynamics simulations reveal the mechanism of photodecarbonylations of cyclopropenones in explicit aqueous environments.
    Adrion DM; Karunaratne WV; Lopez SA
    Chem Sci; 2023 Nov; 14(45):13205-13218. PubMed ID: 38023495
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A Look Inside the Black Box of Machine Learning Photodynamics Simulations.
    Li J; Lopez SA
    Acc Chem Res; 2022 Jul; 55(14):1972-1984. PubMed ID: 35796602
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations.
    Li J; Reiser P; Boswell BR; Eberhard A; Burns NZ; Friederich P; Lopez SA
    Chem Sci; 2021 Mar; 12(14):5302-5314. PubMed ID: 34163763
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Photodecarbonylation mechanism of cyclopropenone in the gas phase: electronic structure calculation and AIMS dynamics simulation.
    Liu L; Xia S; Fang WH
    J Phys Chem A; 2014 Oct; 118(39):8977-85. PubMed ID: 24742337
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Machine-Learning Photodynamics Simulations Uncover the Role of Substituent Effects on the Photochemical Formation of Cubanes.
    Li J; Stein R; Adrion DM; Lopez SA
    J Am Chem Soc; 2021 Dec; 143(48):20166-20175. PubMed ID: 34787403
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Highly efficient photochemical generation of a triple bond: synthesis, properties, and photodecarbonylation of cyclopropenones.
    Poloukhtine A; Popik VV
    J Org Chem; 2003 Oct; 68(20):7833-40. PubMed ID: 14510563
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The ΔSCF method for non-adiabatic dynamics of systems in the liquid phase.
    Vandaele E; Mališ M; Luber S
    J Chem Phys; 2022 Apr; 156(13):130901. PubMed ID: 35395890
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Multiconfigurational Calculations and Photodynamics Describe Norbornadiene Photochemistry.
    Hernández FJ; Cox JM; Li J; Crespo-Otero R; Lopez SA
    J Org Chem; 2023 May; 88(9):5311-5320. PubMed ID: 37022327
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Cyclopropenones for Metabolic Targeting and Sequential Bioorthogonal Labeling.
    Row RD; Shih HW; Alexander AT; Mehl RA; Prescher JA
    J Am Chem Soc; 2017 May; 139(21):7370-7375. PubMed ID: 28478678
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Time-dependent density functional theory excited state nonadiabatic dynamics combined with quantum mechanical/molecular mechanical approach: photodynamics of indole in water.
    Wohlgemuth M; Bonacić-Koutecký V; Mitrić R
    J Chem Phys; 2011 Aug; 135(5):054105. PubMed ID: 21823688
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A QM/MM MD insight into photodynamics of hypoxanthine: distinct nonadiabatic decay behaviors between keto-N7H and keto-N9H tautomers in aqueous solution.
    Guo X; Zhao Y; Cao Z
    Phys Chem Chem Phys; 2014 Aug; 16(29):15381-8. PubMed ID: 24945346
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Photodynamics in complex environments: ab initio multiple spawning quantum mechanical/molecular mechanical dynamics.
    Virshup AM; Punwong C; Pogorelov TV; Lindquist BA; Ko C; Martínez TJ
    J Phys Chem B; 2009 Mar; 113(11):3280-91. PubMed ID: 19090684
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone.
    Filatov M; Min SK; Choi CH
    Phys Chem Chem Phys; 2019 Jan; 21(5):2489-2498. PubMed ID: 30656338
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Application of photochemical decarbonylation of cyclopropenones for the in situ generation of reactive enediynes. Construction of a cyclopropenone-containing enediyne precursor by using a cyclopropenone acetal building block.
    Poloukhtine A; Popik VV
    J Org Chem; 2005 Feb; 70(4):1297-305. PubMed ID: 15704964
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Excited-State Distortions Promote the Photochemical 4π-Electrocyclizations of Fluorobenzenes via Machine Learning Accelerated Photodynamics Simulations.
    Li J; Lopez SA
    Chemistry; 2022 Jul; 28(38):e202200651. PubMed ID: 35474348
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Mixed quantum mechanical/molecular mechanical (QM/MM) simulations of adiabatic and nonadiabatic ultrafast phenomena.
    Curchod BF; Campomanes P; Laktionov A; Neri M; Penfold TJ; Vanni S; Tavernelli I; Rothlisberger U
    Chimia (Aarau); 2011; 65(5):330-3. PubMed ID: 21744687
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Mechanism of the cyclopropenone decarbonylation reaction. A density functional theory and transient spectroscopy study.
    Poloukhtine A; Popik VV
    J Phys Chem A; 2006 Feb; 110(5):1749-57. PubMed ID: 16451004
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation.
    Barbatti M; Aquino AJ; Szymczak JJ; Nachtigallová D; Lischka H
    Phys Chem Chem Phys; 2011 Apr; 13(13):6145-55. PubMed ID: 21347476
    [TBL] [Abstract][Full Text] [Related]  

  • 19. QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution.
    Lan Z; Lu Y; Fabiano E; Thiel W
    Chemphyschem; 2011 Jul; 12(10):1989-98. PubMed ID: 21674744
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study.
    Guo X; Yuan H; An B; Zhu Q; Zhang J
    J Chem Phys; 2016 Apr; 144(15):154306. PubMed ID: 27389219
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.