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 *

161 related articles for article (PubMed ID: 21445452)

  • 1. Ground-state properties of LiH by reptation quantum Monte Carlo methods.
    Ospadov E; Oblinsky DG; Rothstein SM
    Phys Chem Chem Phys; 2011 May; 13(17):8031-6. PubMed ID: 21445452
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A pure-sampling quantum Monte Carlo algorithm.
    Ospadov E; Rothstein SM
    J Chem Phys; 2015 Jan; 142(2):024114. PubMed ID: 25591345
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Computational methods in coupled electron-ion Monte Carlo simulations.
    Pierleoni C; Ceperley DM
    Chemphyschem; 2005 Sep; 6(9):1872-8. PubMed ID: 16088971
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Unbiased expectation values from diffusion quantum Monte Carlo simulations with a fixed number of walkers.
    Bosa I; Rothstein SM
    J Chem Phys; 2004 Sep; 121(10):4486-93. PubMed ID: 15332878
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Dissociation energy of the water dimer from quantum Monte Carlo calculations.
    Gurtubay IG; Needs RJ
    J Chem Phys; 2007 Sep; 127(12):124306. PubMed ID: 17902902
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum Monte Carlo for electronic excitations of free-base porphyrin.
    Aspuru-Guzik A; El Akramine O; Grossman JC; Lester WA
    J Chem Phys; 2004 Feb; 120(7):3049-50. PubMed ID: 15268455
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Energies of the first row atoms from quantum Monte Carlo.
    Brown MD; Trail JR; Ríos PL; Needs RJ
    J Chem Phys; 2007 Jun; 126(22):224110. PubMed ID: 17581047
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo.
    Wagner LK; Mitas L
    J Chem Phys; 2007 Jan; 126(3):034105. PubMed ID: 17249863
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Gamma distribution model to provide a direct assessment of the overall quality of quantum Monte Carlo-generated electron distributions.
    Coles B; Vrbik P; Giacometti RD; Rothstein SM
    J Phys Chem A; 2008 Mar; 112(10):2012-7. PubMed ID: 18251523
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal code.
    Ferrero M; Rérat M; Orlando R; Dovesi R
    J Comput Chem; 2008 Jul; 29(9):1450-9. PubMed ID: 18270962
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The well-tempered auxiliary-field Monte Carlo.
    Jacobi S; Baer R
    J Chem Phys; 2004 Jan; 120(1):43-50. PubMed ID: 15267260
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical investigation of the (hyper)polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study.
    Alparone A; Reis H; Papadopoulos MG
    J Phys Chem A; 2006 May; 110(17):5909-18. PubMed ID: 16640389
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Path integral ground state study of finite-size systems: application to small (parahydrogen)N (N=2-20) clusters.
    Cuervo JE; Roy PN
    J Chem Phys; 2006 Sep; 125(12):124314. PubMed ID: 17014181
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Dependence of the multipole moments, static polarizabilities, and static hyperpolarizabilities of the hydrogen molecule on the H-H separation in the ground singlet state.
    Miliordos E; Hunt KLC
    J Chem Phys; 2018 Dec; 149(23):234103. PubMed ID: 30579318
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Exact ground state Monte Carlo method for Bosons without importance sampling.
    Rossi M; Nava M; Reatto L; Galli DE
    J Chem Phys; 2009 Oct; 131(15):154108. PubMed ID: 20568848
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quantum Monte Carlo ground state energies for the atoms Li through Ar.
    Buendía E; Gálvez FJ; Maldonado P; Sarsa A
    J Chem Phys; 2009 Jul; 131(4):044115. PubMed ID: 19655845
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantum Monte Carlo with Jastrow-valence-bond wave functions.
    Braïda B; Toulouse J; Caffarel M; Umrigar CJ
    J Chem Phys; 2011 Feb; 134(8):084108. PubMed ID: 21361528
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Electric dipole (hyper)polarizabilities of spatially confined LiH molecule.
    Góra RW; Zaleśny R; Kozłowska J; Naciążek P; Roztoczyńska A; Strasburger K; Bartkowiak W
    J Chem Phys; 2012 Sep; 137(9):094307. PubMed ID: 22957569
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+.
    Reis H; Loboda O; Avramopoulos A; Papadopoulos MG; Kirtman B; Luis JM; Zaleśny R
    J Comput Chem; 2011 Apr; 32(5):908-14. PubMed ID: 20949516
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.