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 *

243 related articles for article (PubMed ID: 16863287)

  • 1. Selected configuration interaction with truncation energy error and application to the Ne atom.
    Bunge CF
    J Chem Phys; 2006 Jul; 125(1):014107. PubMed ID: 16863287
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Coupled-cluster with active space selected higher amplitudes: performance of seminatural orbitals for ground and excited state calculations.
    Köhn A; Olsen J
    J Chem Phys; 2006 Nov; 125(17):174110. PubMed ID: 17100432
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Select-divide-and-conquer method for large-scale configuration interaction.
    Bunge CF; Carbó-Dorca R
    J Chem Phys; 2006 Jul; 125(1):014108. PubMed ID: 16863288
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio calculation of the electronic structures of the (7)Sigma+ ground and A (7)Pi and a (5)Sigma+ excited states of MnH.
    Tomonari M; Nagashima U; Hirano T
    J Chem Phys; 2009 Apr; 130(15):154105. PubMed ID: 19388734
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way.
    Pitarch-Ruiz J; Sánchez-Marín J; Maynau D
    J Comput Chem; 2002 Sep; 23(12):1157-65. PubMed ID: 12116385
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Orbital disproportionation and spin crossover as a pseudo Jahn-Teller effect.
    Garcia-Fernandez P; Bersuker IB; Boggs JE
    J Chem Phys; 2006 Sep; 125(10):104102. PubMed ID: 16999510
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Energy and density analyses of the H2 molecule from the united atom to dissociation: the 1Sigma(g)+ states.
    Corongiu G; Clementi E
    J Chem Phys; 2009 Jul; 131(3):034301. PubMed ID: 19624191
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Direct INDO/SCI method for excited state calculations.
    Tomlinson A; Yaron D
    J Comput Chem; 2003 Nov; 24(14):1782-8. PubMed ID: 12964197
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Polarized basis sets of Slater-type orbitals: H to Ne atoms.
    Ema I; García De La Vega JM; Ramírez G; López R; Fernández Rico J; Meissner H; Paldus J
    J Comput Chem; 2003 May; 24(7):859-68. PubMed ID: 12692795
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Performance of the general-model-space state-universal coupled-cluster method.
    Li X; Paldus J
    J Chem Phys; 2004 Apr; 120(13):5890-902. PubMed ID: 15267471
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra.
    Saha B; Ehara M; Nakatsuji H
    J Chem Phys; 2006 Jul; 125(1):014316. PubMed ID: 16863307
    [TBL] [Abstract][Full Text] [Related]  

  • 12. An ab initio study of the low-lying electronic states of S3.
    Peterson KA; Lyons JR; Francisco JS
    J Chem Phys; 2006 Aug; 125(8):084314. PubMed ID: 16965019
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio spin-orbit configuration interaction calculations for high-lying states of the HeNe quasimolecule.
    Buenker RJ; Liebermann HP; Devdariani AZ
    J Phys Chem A; 2007 Feb; 111(7):1307-18. PubMed ID: 17266285
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio molecular orbital study of ground and low-lying electronic states of CoCN.
    Hirano T; Okuda R; Nagashima U; Jensen P
    J Chem Phys; 2007 Jul; 127(1):014303. PubMed ID: 17627342
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Excited states of porphyrin macrocycles.
    Moroni L; Gellini C; Salvi PR; Marcelli A; Foggi P
    J Phys Chem A; 2008 Nov; 112(44):11044-51. PubMed ID: 18855369
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals.
    Ohtsuka Y; Piecuch P; Gour JR; Ehara M; Nakatsuji H
    J Chem Phys; 2007 Apr; 126(16):164111. PubMed ID: 17477593
    [TBL] [Abstract][Full Text] [Related]  

  • 17. On the ground and some low-lying excited states of ScB: a multiconfigurational study.
    Cernusák I; Dallos M; Lischka H; Müller T; Uhlár M
    J Chem Phys; 2007 Jun; 126(21):214311. PubMed ID: 17567200
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Resonant two-photon ionization spectroscopy of jet-cooled OsC.
    Krechkivska O; Morse MD
    J Chem Phys; 2008 Feb; 128(8):084314. PubMed ID: 18315053
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Energy and density analyses of the 1Sigma(u)+ states in the H2 molecule from the united atom to dissociation.
    Corongiu G; Clementi E
    J Phys Chem A; 2009 Dec; 113(52):14791-9. PubMed ID: 20028170
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster.
    Kumar Paul A; Sardar S; Sarkar B; Adhikari S
    J Chem Phys; 2009 Sep; 131(12):124312. PubMed ID: 19791886
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.