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 *

398 related articles for article (PubMed ID: 19405580)

  • 1. Excited states of Nb3N2 and Nb3C2: density functional theory, CASSCF, and MRCI studies.
    Addicoat MA; Metha GF
    J Chem Phys; 2009 Apr; 130(16):164308. PubMed ID: 19405580
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Coupled cluster and density functional studies on geometries and energies of excited C(2v) states of ozone.
    Grein F
    J Chem Phys; 2009 Mar; 130(12):124118. PubMed ID: 19334819
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Parallel multireference configuration interaction calculations on mini-beta-carotenes and beta-carotene.
    Kleinschmidt M; Marian CM; Waletzke M; Grimme S
    J Chem Phys; 2009 Jan; 130(4):044708. PubMed ID: 19191405
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction.
    Silva-Junior MR; Schreiber M; Sauer SP; Thiel W
    J Chem Phys; 2008 Sep; 129(10):104103. PubMed ID: 19044904
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Computational studies on the ground and excited states of BrOOBr.
    Li Y; Vo CK
    J Chem Phys; 2006 May; 124(20):204309. PubMed ID: 16774334
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The electronic spectrum of AgCl2: ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects.
    Ramírez-Solís A; Poteau R; Daudey JP
    J Chem Phys; 2006 Jan; 124(3):034307. PubMed ID: 16438583
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Multireference configuration interaction studies on the ground and excited states of N2O2: the potential energy curves of N2O2 along N-N distance.
    Li Y; Vo CK
    J Chem Phys; 2006 Sep; 125(9):094303. PubMed ID: 16965076
    [TBL] [Abstract][Full Text] [Related]  

  • 9. QM/MM study of the absorption spectra of DsRed.M1 chromophores.
    Sanchez-Garcia E; Doerr M; Thiel W
    J Comput Chem; 2010 Jun; 31(8):1603-12. PubMed ID: 20014299
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Assessing the performance of density functional theory for the electronic structure of metal-salens: the d6-metals.
    Takatani T; Sears JS; Sherrill CD
    J Phys Chem A; 2009 Aug; 113(32):9231-6. PubMed ID: 19621915
    [TBL] [Abstract][Full Text] [Related]  

  • 11. CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene.
    Murakami A; Kobayashi T; Goldberg A; Nakamura S
    J Chem Phys; 2004 Jan; 120(3):1245-52. PubMed ID: 15268250
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theoretical investigation of the energies and geometries of photoexcited uranyl(VI) ion: a comparison between wave-function theory and density functional theory.
    Réal F; Vallet V; Marian C; Wahlgren U
    J Chem Phys; 2007 Dec; 127(21):214302. PubMed ID: 18067352
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Spectroscopic properties of novel aromatic metal clusters: NaM4 (M=Al,Ga,In) and their cations and anions.
    Zhao C; Balasubramanian K
    J Chem Phys; 2004 Jun; 120(22):10501-12. PubMed ID: 15268077
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Density functional theory and multireference configuration interaction studies on low-lying excited states of TiO2.
    Grein F
    J Chem Phys; 2007 Jan; 126(3):034313. PubMed ID: 17249877
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Comparison of density functionals for energy and structural differences between the high- [5T2g: (t2g)4(eg)2] and low- [1A1g: (t2g)6(eg)0] spin states of the hexaquoferrous cation [Fe(H2O)6]2+.
    Fouqueau A; Mer S; Casida ME; Lawson Daku LM; Hauser A; Mineva T; Neese F
    J Chem Phys; 2004 May; 120(20):9473-86. PubMed ID: 15267959
    [TBL] [Abstract][Full Text] [Related]  

  • 17. SPOCK.CI: a multireference spin-orbit configuration interaction method for large molecules.
    Kleinschmidt M; Tatchen J; Marian CM
    J Chem Phys; 2006 Mar; 124(12):124101. PubMed ID: 16599656
    [TBL] [Abstract][Full Text] [Related]  

  • 18. MRCI study on the spectroscopic parameters and molecular constants of the X1Σ+, a3Σ+, A1Π and C1Σ- electronic states of the SiO molecule.
    Shi D; Li W; Sun J; Zhu Z
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 87():96-105. PubMed ID: 22169566
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method.
    Chaudhuri RK; Chattopadhyay S; Mahapatra US; Freed KF
    J Chem Phys; 2010 Jan; 132(3):034105. PubMed ID: 20095726
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Different approaches for the calculation of electronic excited states of nonstoichiometric alkali halide clusters: the example of Na3F.
    Durand G; Heitz MC; Spiegelman F; Meier C; Mitrić R; Bonacić-Koutecký V; Pittner J
    J Chem Phys; 2004 Nov; 121(20):9898-905. PubMed ID: 15549863
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 20.