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 *

333 related articles for article (PubMed ID: 24359352)

  • 21. Non-iterative method for constructing valence antibonding molecular orbitals and a molecule-adapted minimum basis.
    Aldossary A; Head-Gordon M
    J Chem Phys; 2022 Sep; 157(9):094102. PubMed ID: 36075741
    [TBL] [Abstract][Full Text] [Related]  

  • 22. An efficient generalized polyelectron population analysis in orbital spaces: the hole-expansion methodology.
    Karafiloglou P
    J Chem Phys; 2009 Apr; 130(16):164103. PubMed ID: 19405557
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton-Mouton constants using London atomic orbitals.
    Thorvaldsen AJ; Ruud K; Rizzo A; Coriani S
    J Chem Phys; 2008 Oct; 129(16):164110. PubMed ID: 19045250
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulation.
    Sirjoosingh A; Pak MV; Swalina C; Hammes-Schiffer S
    J Chem Phys; 2013 Jul; 139(3):034102. PubMed ID: 23883005
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation.
    Chakraborty A; Hammes-Schiffer S
    J Chem Phys; 2008 Nov; 129(20):204101. PubMed ID: 19045846
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals.
    Sayfutyarova ER; Sun Q; Chan GK; Knizia G
    J Chem Theory Comput; 2017 Sep; 13(9):4063-4078. PubMed ID: 28731706
    [TBL] [Abstract][Full Text] [Related]  

  • 27. General orbital invariant MP2-F12 theory.
    Werner HJ; Adler TB; Manby FR
    J Chem Phys; 2007 Apr; 126(16):164102. PubMed ID: 17477584
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Method of local increments for the calculation of adsorption energies of atoms and small molecules on solid surfaces. 2. CO/MgO(001).
    Staemmler V
    J Phys Chem A; 2011 Jun; 115(25):7153-60. PubMed ID: 21513315
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Implementation of exact exchange with numerical atomic orbitals.
    Shang H; Li Z; Yang J
    J Phys Chem A; 2010 Jan; 114(2):1039-43. PubMed ID: 20070129
    [TBL] [Abstract][Full Text] [Related]  

  • 30. A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of Urea.
    West AC; Schmidt MW; Gordon MS; Ruedenberg K
    J Phys Chem A; 2015 Oct; 119(41):10368-75. PubMed ID: 26371867
    [TBL] [Abstract][Full Text] [Related]  

  • 31. iCAS: Imposed Automatic Selection and Localization of Complete Active Spaces.
    Lei Y; Suo B; Liu W
    J Chem Theory Comput; 2021 Aug; 17(8):4846-4859. PubMed ID: 34314180
    [TBL] [Abstract][Full Text] [Related]  

  • 32. The atomic orbitals of the topological atom.
    Ramos-Cordoba E; Salvador P; Mayer I
    J Chem Phys; 2013 Jun; 138(21):214107. PubMed ID: 23758358
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Localized Hartree product treatment of multiple protons in the nuclear-electronic orbital framework.
    Auer B; Hammes-Schiffer S
    J Chem Phys; 2010 Feb; 132(8):084110. PubMed ID: 20192293
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Gauge-origin independent calculations of Jones birefringence.
    Shcherbin D; Thorvaldsen AJ; Jonsson D; Ruud K
    J Chem Phys; 2011 Oct; 135(13):134114. PubMed ID: 21992289
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Fragment-Localized Kohn-Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis.
    Reinhardt P; Piquemal JP; Savin A
    J Chem Theory Comput; 2008 Dec; 4(12):2020-9. PubMed ID: 26620475
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Efficient evaluation of analytic vibrational frequencies in Hartree-Fock and density functional theory for periodic nonconducting systems.
    Izmaylov AF; Scuseria GE
    J Chem Phys; 2007 Oct; 127(14):144106. PubMed ID: 17935385
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Study on the maximum accuracy of the pseudopotential density functional method with localized atomic orbitals versus plane-wave basis sets.
    Gusso M
    J Chem Phys; 2008 Jan; 128(4):044102. PubMed ID: 18247925
    [TBL] [Abstract][Full Text] [Related]  

  • 38. An investigation of nodal structures and the construction of trial wave functions.
    Bressanini D; Morosi G; Tarasco S
    J Chem Phys; 2005 Nov; 123(20):204109. PubMed ID: 16351242
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Parallel, linear-scaling building-block and embedding method based on localized orbitals and orbital-specific basis sets.
    Seijo L; Barandiarán Z
    J Chem Phys; 2004 Oct; 121(14):6698-709. PubMed ID: 15473725
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix method.
    Sand AM; Mazziotti DA
    J Chem Phys; 2013 Jun; 138(24):244102. PubMed ID: 23822222
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 17.