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 *

192 related articles for article (PubMed ID: 32610964)

  • 1. Development of nuclear basis sets for multicomponent quantum chemistry methods.
    Yu Q; Pavošević F; Hammes-Schiffer S
    J Chem Phys; 2020 Jun; 152(24):244123. PubMed ID: 32610964
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear-Electronic Orbital Method.
    Pavošević F; Culpitt T; Hammes-Schiffer S
    Chem Rev; 2020 May; 120(9):4222-4253. PubMed ID: 32283015
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Direct Dynamics with Nuclear-Electronic Orbital Density Functional Theory.
    Tao Z; Yu Q; Roy S; Hammes-Schiffer S
    Acc Chem Res; 2021 Nov; 54(22):4131-4141. PubMed ID: 34726895
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. 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]  

  • 6. Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework.
    Pavošević F; Culpitt T; Hammes-Schiffer S
    J Chem Theory Comput; 2019 Jan; 15(1):338-347. PubMed ID: 30525610
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Multicomponent Coupled Cluster Singles and Doubles with Density Fitting: Protonated Water Tetramers with Quantized Protons.
    Pavošević F; Tao Z; Hammes-Schiffer S
    J Phys Chem Lett; 2021 Feb; 12(6):1631-1637. PubMed ID: 33555187
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Analytical Gradients for Nuclear-Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies.
    Tao Z; Roy S; Schneider PE; Pavošević F; Hammes-Schiffer S
    J Chem Theory Comput; 2021 Aug; 17(8):5110-5122. PubMed ID: 34260237
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Enhancing the applicability of multicomponent time-dependent density functional theory.
    Culpitt T; Yang Y; Pavošević F; Tao Z; Hammes-Schiffer S
    J Chem Phys; 2019 May; 150(20):201101. PubMed ID: 31153172
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. 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]  

  • 12. Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.
    Yang Y; Culpitt T; Hammes-Schiffer S
    J Phys Chem Lett; 2018 Apr; 9(7):1765-1770. PubMed ID: 29553738
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital Framework.
    Culpitt T; Yang Y; Schneider PE; Pavošević F; Hammes-Schiffer S
    J Chem Theory Comput; 2019 Dec; 15(12):6840-6849. PubMed ID: 31618582
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Triple electron-electron-proton excitations and second-order approximations in nuclear-electronic orbital coupled cluster methods.
    Pavošević F; Hammes-Schiffer S
    J Chem Phys; 2022 Aug; 157(7):074104. PubMed ID: 35987569
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Multicomponent Unitary Coupled Cluster and Equation-of-Motion for Quantum Computation.
    Pavošević F; Hammes-Schiffer S
    J Chem Theory Comput; 2021 Jun; 17(6):3252-3258. PubMed ID: 33945684
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries.
    Brorsen KR; Yang Y; Hammes-Schiffer S
    J Phys Chem Lett; 2017 Aug; 8(15):3488-3493. PubMed ID: 28686449
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. 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]  

  • 19. 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]  

  • 20. Multicomponent density functional theory embedding formulation.
    Culpitt T; Brorsen KR; Pak MV; Hammes-Schiffer S
    J Chem Phys; 2016 Jul; 145(4):044106. PubMed ID: 27475347
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.