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 *

136 related articles for article (PubMed ID: 28608423)

  • 21. General implementation of the relativistic coupled-cluster method.
    Nataraj HS; Kállay M; Visscher L
    J Chem Phys; 2010 Dec; 133(23):234109. PubMed ID: 21186860
    [TBL] [Abstract][Full Text] [Related]  

  • 22. PSI3: an open-source Ab Initio electronic structure package.
    Crawford TD; Sherrill CD; Valeev EF; Fermann JT; King RA; Leininger ML; Brown ST; Janssen CL; Seidl ET; Kenny JP; Allen WD
    J Comput Chem; 2007 Jul; 28(9):1610-1616. PubMed ID: 17420978
    [TBL] [Abstract][Full Text] [Related]  

  • 23. A Non-antisymmetric Tensor Contraction Engine for the Automated Implementation of Spin-Adapted Coupled Cluster Approaches.
    Datta D; Gauss J
    J Chem Theory Comput; 2013 Jun; 9(6):2639-53. PubMed ID: 26583859
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Modeling electron density distributions from X-ray diffraction to derive optical properties: constrained wavefunction versus multipole refinement.
    Hickstein DD; Cole JM; Turner MJ; Jayatilaka D
    J Chem Phys; 2013 Aug; 139(6):064108. PubMed ID: 23947844
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Polynomial-product states: A symmetry-projection-based factorization of the full coupled cluster wavefunction in terms of polynomials of double excitations.
    Gomez JA; Henderson TM; Scuseria GE
    J Chem Phys; 2019 Apr; 150(14):144108. PubMed ID: 30981260
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Development of a relaxation-inducing cluster expansion formalism for treating strong relaxation and correlation effects.
    Jana D; Mukherjee D
    J Chem Phys; 2005 Jun; 122(23):234101. PubMed ID: 16008424
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Generating Efficient Quantum Chemistry Codes for Novel Architectures.
    Titov AV; Ufimtsev IS; Luehr N; Martinez TJ
    J Chem Theory Comput; 2013 Jan; 9(1):213-21. PubMed ID: 26589024
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach.
    Ko C; Pak MV; Swalina C; Hammes-Schiffer S
    J Chem Phys; 2011 Aug; 135(5):054106. PubMed ID: 21823689
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Large-scale parallel configuration interaction. I. Nonrelativistic and scalar-relativistic general active space implementation with application to (Rb-Ba)+.
    Knecht S; Jensen HJ; Fleig T
    J Chem Phys; 2008 Jan; 128(1):014108. PubMed ID: 18190186
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Embedded correlated wavefunction schemes: theory and applications.
    Libisch F; Huang C; Carter EA
    Acc Chem Res; 2014 Sep; 47(9):2768-75. PubMed ID: 24873211
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Atomic Spectral Methods for Ab Initio Molecular Electronic Energy Surfaces: Transitioning From Small-Molecule to Biomolecular-Suitable Approaches.
    Mills JD; Ben-Nun M; Rollin K; Bromley MW; Li J; Hinde RJ; Winstead CL; Sheehy JA; Boatz JA; Langhoff PW
    J Phys Chem B; 2016 Aug; 120(33):8321-37. PubMed ID: 27232159
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Automatic algorithms for completeness-optimization of Gaussian basis sets.
    Lehtola S
    J Comput Chem; 2015 Feb; 36(5):335-47. PubMed ID: 25487276
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Communication: Biological applications of coupled-cluster frozen-density embedding.
    Heuser J; Höfener S
    J Chem Phys; 2018 Apr; 148(14):141101. PubMed ID: 29655359
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps.
    Plasser F; González L
    J Chem Phys; 2016 Jul; 145(2):021103. PubMed ID: 27421390
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Comparison of multireference ab initio wavefunction methodologies for X-ray absorption edges: A case study on [Fe(II/III)Cl
    Maganas D; Kowalska JK; Nooijen M; DeBeer S; Neese F
    J Chem Phys; 2019 Mar; 150(10):104106. PubMed ID: 30876345
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Convergence study of a Schrödinger-equation algorithm and structure-factor determination from the wavefunction.
    Bethanis K; Tzamalis P; Hountas A; Tsoucaris G
    Acta Crystallogr A; 2008 Jul; 64(Pt 4):450-8. PubMed ID: 18560161
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.
    Herbert JM; Zhang X; Morrison AF; Liu J
    Acc Chem Res; 2016 May; 49(5):931-41. PubMed ID: 27100899
    [TBL] [Abstract][Full Text] [Related]  

  • 38. High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds.
    Kurashige Y; Yanai T
    J Chem Phys; 2009 Jun; 130(23):234114. PubMed ID: 19548718
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Comparison of fully internally and strongly contracted multireference configuration interaction procedures.
    Sivalingam K; Krupicka M; Auer AA; Neese F
    J Chem Phys; 2016 Aug; 145(5):054104. PubMed ID: 27497536
    [TBL] [Abstract][Full Text] [Related]  

  • 40. The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction.
    Cederbaum LS
    J Chem Phys; 2013 Jun; 138(22):224110. PubMed ID: 23781786
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.