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 *

182 related articles for article (PubMed ID: 31199630)

  • 1. Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon.
    Schoendorff G; West AC; Schmidt MW; Ruedenberg K; Gordon MS
    J Phys Chem A; 2019 Jun; 123(25):5242-5248. PubMed ID: 31199630
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li-Xe.
    Schoendorff G; West AC; Schmidt MW; Ruedenberg K; Wilson AK; Gordon MS
    J Phys Chem A; 2017 May; 121(18):3588-3597. PubMed ID: 28406302
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Identification and Characterization of Molecular Bonding Structures by ab initio Quasi-Atomic Orbital Analyses.
    West AC; Duchimaza-Heredia JJ; Gordon MS; Ruedenberg K
    J Phys Chem A; 2017 Nov; 121(46):8884-8898. PubMed ID: 29135255
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecule intrinsic minimal basis sets. I. Exact resolution of ab initio optimized molecular orbitals in terms of deformed atomic minimal-basis orbitals.
    Lu WC; Wang CZ; Schmidt MW; Bytautas L; Ho KM; Ruedenberg K
    J Chem Phys; 2004 Feb; 120(6):2629-37. PubMed ID: 15268406
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Charge transfer interaction using quasiatomic minimal-basis orbitals in the effective fragment potential method.
    Xu P; Gordon MS
    J Chem Phys; 2013 Nov; 139(19):194104. PubMed ID: 24320313
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Valence Virtual Orbitals: An Unambiguous ab Initio Quantification of the LUMO Concept.
    Schmidt MW; Hull EA; Windus TL
    J Phys Chem A; 2015 Oct; 119(41):10408-27. PubMed ID: 26430954
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A comprehensive analysis of molecule-intrinsic quasi-atomic, bonding, and correlating orbitals. I. Hartree-Fock wave functions.
    West AC; Schmidt MW; Gordon MS; Ruedenberg K
    J Chem Phys; 2013 Dec; 139(23):234107. PubMed ID: 24359352
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Relativity and the periodic table.
    Pyper NC
    Philos Trans A Math Phys Eng Sci; 2020 Sep; 378(2180):20190305. PubMed ID: 32811360
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave Functions.
    West AC; Schmidt MW; Gordon MS; Ruedenberg K
    J Phys Chem A; 2015 Oct; 119(41):10360-7. PubMed ID: 26376320
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane.
    West AC; Schmidt MW; Gordon MS; Ruedenberg K
    J Phys Chem A; 2015 Oct; 119(41):10376-89. PubMed ID: 26371996
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecule intrinsic minimal basis sets. II. Bonding analyses for Si4H6 and Si2 to Si10.
    Lu WC; Wang CZ; Schmidt MW; Bytautas L; Ho KM; Ruedenberg K
    J Chem Phys; 2004 Feb; 120(6):2638-51. PubMed ID: 15268407
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Optimized Slater-type basis sets for the elements 1-118.
    Van Lenthe E; Baerends EJ
    J Comput Chem; 2003 Jul; 24(9):1142-56. PubMed ID: 12759913
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Relativistic correlating basis sets for the sixth-period d-block atoms from Lu to Hg.
    Osanai Y; Noro T; Miyoshi E; Sekiya M; Koga T
    J Chem Phys; 2004 Apr; 120(14):6408-13. PubMed ID: 15267529
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Automatic Construction of the Initial Orbitals for Efficient Generalized Valence Bond Calculations of Large Systems.
    Wang Q; Zou J; Xu E; Pulay P; Li S
    J Chem Theory Comput; 2019 Jan; 15(1):141-153. PubMed ID: 30481019
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Localized Intrinsic Valence Virtual Orbitals as a Tool for the Automatic Classification of Core Excited States.
    Derricotte WD; Evangelista FA
    J Chem Theory Comput; 2017 Dec; 13(12):5984-5999. PubMed ID: 29125754
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors.
    Senjean B; Sen S; Repisky M; Knizia G; Visscher L
    J Chem Theory Comput; 2021 Mar; 17(3):1337-1354. PubMed ID: 33555866
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Segmented all-electron basis sets of triple zeta quality for the lanthanides: application to structure calculations of lanthanide monoxides.
    de Oliveira AZ; Ferreira IB; Campos CT; Jorge FE; Fantin PA
    J Mol Model; 2019 Jan; 25(2):38. PubMed ID: 30648221
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.