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 *

327 related articles for article (PubMed ID: 18447447)

  • 21. 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]  

  • 22. The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent-field four-component methods with application to UO2.
    Fleig T; Jensen HJ; Olsen J; Visscher L
    J Chem Phys; 2006 Mar; 124(10):104106. PubMed ID: 16542067
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin-orbit configuration interaction singles and doubles calculations of the ground and low-lying excited states of U(4+) and U(5+).
    Beck EV; Brozell SR; Blaudeau JP; Burggraf LW; Pitzer RM
    J Phys Chem A; 2009 Nov; 113(45):12626-31. PubMed ID: 19888778
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Theoretical study of the electronic states of Nb4, Nb5 clusters and their anions (Nb4-,Nb5-).
    Majumdar D; Balasubramanian K
    J Chem Phys; 2004 Sep; 121(9):4014-32. PubMed ID: 15332947
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states.
    Hellweg A; Grün SA; Hättig C
    Phys Chem Chem Phys; 2008 Jul; 10(28):4119-27. PubMed ID: 18612515
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Comparative ab initio studies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods.
    Solomonik VG; Stanton JF; Boggs JE
    J Chem Phys; 2008 Jun; 128(24):244104. PubMed ID: 18601314
    [TBL] [Abstract][Full Text] [Related]  

  • 27. New relativistic ANO basis sets for transition metal atoms.
    Roos BO; Lindh R; Malmqvist PA; Veryazov V; Widmark PO
    J Phys Chem A; 2005 Jul; 109(29):6575-9. PubMed ID: 16834004
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Electronic spectra of heteroatom-containing isoelectronic carbon chains C(2n)S and C2(n)Cl+ (n=1-5).
    Zhang J; Wu W; Wang L; Cao Z
    J Chem Phys; 2006 Mar; 124(12):124319. PubMed ID: 16599686
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Geometry optimization using improved virtual orbitals: a complete active space numerical gradient approach.
    Chaudhuri RK; Freed KF
    J Chem Phys; 2007 Mar; 126(11):114103. PubMed ID: 17381192
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Calculation of zero-field splitting parameters: comparison of a two-component noncolinear spin-density-functional method and a one-component perturbational approach.
    Reviakine R; Arbuznikov AV; Tremblay JC; Remenyi C; Malkina OL; Malkin VG; Kaupp M
    J Chem Phys; 2006 Aug; 125(5):054110. PubMed ID: 16942206
    [TBL] [Abstract][Full Text] [Related]  

  • 31. 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]  

  • 32. 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]  

  • 33. Intramolecular charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in acetonitrile solution: RISM-SCF study.
    Minezawa N; Kato S
    J Phys Chem A; 2005 Jun; 109(24):5445-53. PubMed ID: 16839072
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Excited States and Absorption Spectra of UF6: A RASPT2 Theoretical Study with Spin-Orbit Coupling.
    Wei F; Wu GS; Schwarz WH; Li J
    J Chem Theory Comput; 2011 Oct; 7(10):3223-31. PubMed ID: 26598158
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Excited-state properties and environmental effects for protonated schiff bases: a theoretical study.
    Aquino AJ; Barbatti M; Lischka H
    Chemphyschem; 2006 Oct; 7(10):2089-96. PubMed ID: 16941558
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Spectroscopic properties and potential energy surfaces for curium hydrides: CmH(2), CmH(2)(+), CmH, and CmH(+).
    Balasubramanian K; Cao Z
    J Phys Chem A; 2009 Nov; 113(45):12512-24. PubMed ID: 19736953
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Multireference study of spin-orbit coupling in the hydrides of the 6p-block elements using the model core potential method.
    Zeng T; Fedorov DG; Klobukowski M
    J Chem Phys; 2010 Feb; 132(7):074102. PubMed ID: 20170210
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Dipole allowed transitions in GdF: A four-component relativistic general open-shell configuration interaction study.
    Yamamoto S; Tatewaki H; Saue T
    J Chem Phys; 2008 Dec; 129(24):244505. PubMed ID: 19123515
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The accuracy of dipole moments from spin-component scaled CC2 in ground and electronically excited states.
    Hellweg A
    J Chem Phys; 2011 Feb; 134(6):064103. PubMed ID: 21322657
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Is cerocene really a Ce(III) compound? All-electron spin-orbit coupled CASPT2 calculations on M(eta(8)-C8H8)2 (M = Th, Pa, Ce).
    Kerridge A; Coates R; Kaltsoyannis N
    J Phys Chem A; 2009 Mar; 113(12):2896-905. PubMed ID: 19256474
    [TBL] [Abstract][Full Text] [Related]  

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