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 *

142 related articles for article (PubMed ID: 37738161)

  • 1. Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics.
    Klētnieks Ē; Alonso YC; Vaníček JJL
    J Phys Chem A; 2023 Oct; 127(39):8117-8125. PubMed ID: 37738161
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Surfaces.
    Begušić T; Tapavicza E; Vaníček J
    J Chem Theory Comput; 2022 May; 18(5):3065-3074. PubMed ID: 35420803
    [TBL] [Abstract][Full Text] [Related]  

  • 3. On-the-fly
    Begušić T; Roulet J; Vaníček J
    J Chem Phys; 2018 Dec; 149(24):244115. PubMed ID: 30599739
    [TBL] [Abstract][Full Text] [Related]  

  • 4. On-the-Fly ab Initio Semiclassical Dynamics of Floppy Molecules: Absorption and Photoelectron Spectra of Ammonia.
    Wehrle M; Oberli S; Vaníček J
    J Phys Chem A; 2015 Jun; 119(22):5685-90. PubMed ID: 25928833
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Single-Hessian thawed Gaussian approximation.
    Begušić T; Cordova M; Vaníček J
    J Chem Phys; 2019 Apr; 150(15):154117. PubMed ID: 31005089
    [TBL] [Abstract][Full Text] [Related]  

  • 6. On-the-Fly Ab Initio Semiclassical Evaluation of Absorption Spectra of Polyatomic Molecules beyond the Condon Approximation.
    Patoz A; Begušić T; Vaníček J
    J Phys Chem Lett; 2018 May; 9(9):2367-2372. PubMed ID: 29652506
    [TBL] [Abstract][Full Text] [Related]  

  • 7. On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature.
    Begušić T; Vaníček J
    J Chem Phys; 2020 Jul; 153(2):024105. PubMed ID: 32668922
    [TBL] [Abstract][Full Text] [Related]  

  • 8. On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy.
    Begušić T; Vaníček J
    J Chem Phys; 2020 Nov; 153(18):184110. PubMed ID: 33187412
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Thawed Gaussian Wavepacket Dynamics with Δ-Machine-Learned Potentials.
    Gherib R; Ryabinkin IG; Genin SN
    J Phys Chem A; 2024 Oct; 128(42):9287-9301. PubMed ID: 39393085
    [TBL] [Abstract][Full Text] [Related]  

  • 10. On-the-fly ab initio semiclassical dynamics: identifying degrees of freedom essential for emission spectra of oligothiophenes.
    Wehrle M; Šulc M; Vaníček J
    J Chem Phys; 2014 Jun; 140(24):244114. PubMed ID: 24985625
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations.
    Begušić T; Vaníček J
    Chimia (Aarau); 2021 Apr; 75(4):261-266. PubMed ID: 33902792
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Vibrationally high-resolved electronic spectra of MCl2 (M=C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2(.).
    Ran Y; Pang M; Shen W; Li M; He R
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Oct; 167():1-11. PubMed ID: 27280730
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Anharmonic calculations of vibrational spectra for molecular adsorbates: A divide-and-conquer semiclassical molecular dynamics approach.
    Cazzaniga M; Micciarelli M; Moriggi F; Mahmoud A; Gabas F; Ceotto M
    J Chem Phys; 2020 Mar; 152(10):104104. PubMed ID: 32171221
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Full-dimensional quantum dynamics of vibrationally mediated photodissociation of NH3 and ND3 on coupled ab initio potential energy surfaces: absorption spectra and NH2(Ã(2)A1)/NH2(X̃(2)B1) branching ratios.
    Ma J; Xie C; Zhu X; Yarkony DR; Xie D; Guo H
    J Phys Chem A; 2014 Dec; 118(51):11926-34. PubMed ID: 25036988
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Internal conversion rates from the extended thawed Gaussian approximation: Theory and validation.
    Wenzel M; Mitric R
    J Chem Phys; 2023 Jan; 158(3):034105. PubMed ID: 36681643
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Anharmonic vibrational spectroscopy calculations for (NH3)(HF) and (NH3)(DF): fundamental, overtone, and combination transitions.
    Brindle CA; Chaban GM; Gerber RB; Janda KC
    Phys Chem Chem Phys; 2005 Mar; 7(5):945-54. PubMed ID: 19791384
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.
    Antipov SV; Bhattacharyya S; El Hage K; Xu ZH; Meuwly M; Rothlisberger U; Vaníček J
    Struct Dyn; 2017 Nov; 4(6):061509. PubMed ID: 29376107
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computation of the S
    Bonfanti M; Petersen J; Eisenbrandt P; Burghardt I; Pollak E
    J Chem Theory Comput; 2018 Oct; 14(10):5310-5323. PubMed ID: 30141930
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Efficient on-the-fly ab initio semiclassical method for computing time-resolved nonadiabatic electronic spectra with surface hopping or Ehrenfest dynamics.
    Zimmermann T; Vaníček J
    J Chem Phys; 2014 Oct; 141(13):134102. PubMed ID: 25296779
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene.
    Prlj A; Begušić T; Zhang ZT; Fish GC; Wehrle M; Zimmermann T; Choi S; Roulet J; Moser JE; Vaníček J
    J Chem Theory Comput; 2020 Apr; 16(4):2617-2626. PubMed ID: 32119547
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.