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 *

121 related articles for article (PubMed ID: 28830169)

  • 1. H
    Gasperich K; Deible M; Jordan KD
    J Chem Phys; 2017 Aug; 147(7):074106. PubMed ID: 28830169
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Quantum Monte Carlo calculation of the binding energy of the beryllium dimer.
    Deible MJ; Kessler M; Gasperich KE; Jordan KD
    J Chem Phys; 2015 Aug; 143(8):084116. PubMed ID: 26328827
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Non-orthogonal determinants in multi-Slater-Jastrow trial wave functions for fixed-node diffusion Monte Carlo.
    Pathak S; Wagner LK
    J Chem Phys; 2018 Dec; 149(23):234104. PubMed ID: 30579315
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Excited states of methylene from quantum Monte Carlo.
    Zimmerman PM; Toulouse J; Zhang Z; Musgrave CB; Umrigar CJ
    J Chem Phys; 2009 Sep; 131(12):124103. PubMed ID: 19791848
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Diffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe(NCH)6](2.).
    Fumanal M; Wagner LK; Sanvito S; Droghetti A
    J Chem Theory Comput; 2016 Sep; 12(9):4233-41. PubMed ID: 27500854
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Singlet-triplet gaps in diradicals obtained with diffusion quantum Monte Carlo using a Slater-Jastrow trial wavefunction with a minimum number of determinants.
    Zhou X; Wang F
    Phys Chem Chem Phys; 2019 Sep; 21(36):20422-20431. PubMed ID: 31501831
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study.
    Beaudet TD; Casula M; Kim J; Sorella S; Martin RM
    J Chem Phys; 2008 Oct; 129(16):164711. PubMed ID: 19045302
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Diffusion quantum Monte Carlo method on diradicals using single- and multi-determinant-Jastrow trial wavefunctions and different orbitals.
    Rao L; Wang F
    J Chem Phys; 2022 Mar; 156(12):124308. PubMed ID: 35364895
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein.
    Bouabça T; Ben Amor N; Maynau D; Caffarel M
    J Chem Phys; 2009 Mar; 130(11):114107. PubMed ID: 19317531
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accurate prediction of diradical chemistry from a single-reference density-matrix method: Model application to the bicyclobutane to gauche-1,3-butadiene isomerization.
    Bertels LW; Mazziotti DA
    J Chem Phys; 2014 Jul; 141(4):044305. PubMed ID: 25084908
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Diffusion Monte Carlo method on small boron clusters using single- and multi- determinant-Jastrow trial wavefunctions.
    Peng Y; Zhou X; Wang Z; Wang F
    J Chem Phys; 2021 Jan; 154(2):024301. PubMed ID: 33445915
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Approaching chemical accuracy with quantum Monte Carlo.
    Petruzielo FR; Toulouse J; Umrigar CJ
    J Chem Phys; 2012 Mar; 136(12):124116. PubMed ID: 22462844
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The double exciton state of conjugated chromophores with strong diradical character: insights from TDDFT calculations.
    Canola S; Casado J; Negri F
    Phys Chem Chem Phys; 2018 Oct; 20(37):24227-24238. PubMed ID: 30209470
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules.
    Doblhoff-Dier K; Meyer J; Hoggan PE; Kroes GJ; Wagner LK
    J Chem Theory Comput; 2016 Jun; 12(6):2583-97. PubMed ID: 27175914
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Full Wave Function Optimization with Quantum Monte Carlo-A Study of the Dissociation Energies of ZnO, FeO, FeH, and CrS.
    Ludovicy J; Mood KH; Lüchow A
    J Chem Theory Comput; 2019 Oct; 15(10):5221-5229. PubMed ID: 31433631
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Assessing the accuracy of the Jastrow antisymmetrized geminal power in the H
    Genovese C; Meninno A; Sorella S
    J Chem Phys; 2019 Feb; 150(8):084102. PubMed ID: 30823772
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Efficient local energy evaluation for multi-Slater wave functions in orbital space quantum Monte Carlo.
    Mahajan A; Sharma S
    J Chem Phys; 2020 Nov; 153(19):194108. PubMed ID: 33218236
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Accurate barrier heights using diffusion Monte Carlo.
    Krongchon K; Busemeyer B; Wagner LK
    J Chem Phys; 2017 Mar; 146(12):124129. PubMed ID: 28388130
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Excited-State Diffusion Monte Carlo Calculations: A Simple and Efficient Two-Determinant Ansatz.
    Blunt NS; Neuscamman E
    J Chem Theory Comput; 2019 Jan; 15(1):178-189. PubMed ID: 30525592
    [TBL] [Abstract][Full Text] [Related]  

  • 20. All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe.
    Ma A; Drummond ND; Towler MD; Needs RJ
    Phys Rev E Stat Nonlin Soft Matter Phys; 2005 Jun; 71(6 Pt 2):066704. PubMed ID: 16089908
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.