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 *

853 related articles for article (PubMed ID: 34726895)

  • 21. First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems.
    Xu J; Zhou R; Blum V; Li TE; Hammes-Schiffer S; Kanai Y
    Phys Rev Lett; 2023 Dec; 131(23):238002. PubMed ID: 38134781
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics.
    Zhao L; Wildman A; Pavošević F; Tully JC; Hammes-Schiffer S; Li X
    J Phys Chem Lett; 2021 Apr; 12(14):3497-3502. PubMed ID: 33792317
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital Framework.
    Yang Y; Schneider PE; Culpitt T; Pavošević F; Hammes-Schiffer S
    J Phys Chem Lett; 2019 Mar; 10(6):1167-1172. PubMed ID: 30776246
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Multicomponent Orbital-Optimized Perturbation Theory with Density Fitting: Anharmonic Zero-Point Energies in Protonated Water Clusters.
    Fetherolf JH; Pavošević F; Tao Z; Hammes-Schiffer S
    J Phys Chem Lett; 2022 Jun; 13(24):5563-5570. PubMed ID: 35696537
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Combining the nuclear-electronic orbital approach with vibronic coupling theory: calculation of the tunneling splitting for malonaldehyde.
    Hazra A; Skone JH; Hammes-Schiffer S
    J Chem Phys; 2009 Feb; 130(5):054108. PubMed ID: 19206959
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Nuclear-Electronic Orbital Time-Dependent Configuration Interaction Method.
    Garner SM; Upadhyay S; Li X; Hammes-Schiffer S
    J Phys Chem Lett; 2024 Jun; 15(23):6017-6023. PubMed ID: 38815051
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Nuclear-electronic orbital nonorthogonal configuration interaction approach.
    Skone JH; Pak MV; Hammes-Schiffer S
    J Chem Phys; 2005 Oct; 123(13):134108. PubMed ID: 16223276
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: sequential, concerted, and complex branching mechanisms.
    Soudackov AV; Hazra A; Hammes-Schiffer S
    J Chem Phys; 2011 Oct; 135(14):144115. PubMed ID: 22010706
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Diagonal Born-Oppenheimer Corrections within the Nuclear-Electronic Orbital Framework.
    Schneider PE; Pavošević F; Hammes-Schiffer S
    J Phys Chem Lett; 2019 Aug; 10(16):4639-4643. PubMed ID: 31347849
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride.
    Pavošević F; Hammes-Schiffer S
    J Chem Phys; 2019 Apr; 150(16):161102. PubMed ID: 31042898
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Full-quantum descriptions of molecular systems from constrained nuclear-electronic orbital density functional theory.
    Xu X; Yang Y
    J Chem Phys; 2020 Aug; 153(7):074106. PubMed ID: 32828104
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework.
    Swalina C; Pak MV; Chakraborty A; Hammes-Schiffer S
    J Phys Chem A; 2006 Aug; 110(33):9983-7. PubMed ID: 16913669
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong Couplings.
    Li TE; Tao Z; Hammes-Schiffer S
    J Chem Theory Comput; 2022 May; 18(5):2774-2784. PubMed ID: 35420037
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Multicomponent Orbital-Optimized Perturbation Theory Methods: Approaching Coupled Cluster Accuracy at Lower Cost.
    Pavošević F; Rousseau BJG; Hammes-Schiffer S
    J Phys Chem Lett; 2020 Feb; 11(4):1578-1583. PubMed ID: 31999121
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Solvated Nuclear-Electronic Orbital Structure and Dynamics.
    Wildman A; Tao Z; Zhao L; Hammes-Schiffer S; Li X
    J Chem Theory Comput; 2022 Mar; 18(3):1340-1346. PubMed ID: 35179376
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Nuclear-Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics.
    Chow M; Lambros E; Li X; Hammes-Schiffer S
    J Chem Theory Comput; 2023 Jul; 19(13):3839-3848. PubMed ID: 37329317
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium.
    Tao Z; Yang Y; Hammes-Schiffer S
    J Chem Phys; 2019 Sep; 151(12):124102. PubMed ID: 31575164
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Multicomponent coupled cluster singles and doubles and Brueckner doubles methods: Proton densities and energies.
    Pavošević F; Hammes-Schiffer S
    J Chem Phys; 2019 Aug; 151(7):074104. PubMed ID: 31438716
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Geometric Phase Effects in Nonadiabatic Dynamics near Conical Intersections.
    Ryabinkin IG; Joubert-Doriol L; Izmaylov AF
    Acc Chem Res; 2017 Jul; 50(7):1785-1793. PubMed ID: 28665584
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems.
    Swalina C; Pak MV; Hammes-Schiffer S
    J Chem Phys; 2005 Jul; 123(1):014303. PubMed ID: 16035831
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 43.