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 *

172 related articles for article (PubMed ID: 15847461)

  • 1. Geometry and spin-multiplicity of half-sandwich type transition-metal-benzene complexes.
    Rabilloud F
    J Chem Phys; 2005 Apr; 122(13):134303. PubMed ID: 15847461
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The electronic structure and energetics of V(+)-benzene half-sandwiches of different multiplicities: Comparative multireference and single-reference theoretical study.
    Polestshuk PM; Dem'yanov PI; Ryabinkin IG
    J Chem Phys; 2008 Aug; 129(5):054307. PubMed ID: 18698900
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Geometry and electronic structure of Vn(Bz)m complexes.
    Kandalam AK; Rao BK; Jena P; Pandey R
    J Chem Phys; 2004 Jun; 120(22):10414-22. PubMed ID: 15268069
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio multireference configuration-interaction theoretical study on the low-lying spin states in binuclear transition-metal complex: magnetic exchange of [(NH3)5Cr(mu-OH)Cr(NH3)5]5+ and [Cl3FeOFeCl3]2-.
    Wang B; Wei H; Wang M; Chen Z
    J Chem Phys; 2005 May; 122(20):204310. PubMed ID: 15945727
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The electronic structure of oxo-Mn(salen): single-reference and multireference approaches.
    Sears JS; Sherrill CD
    J Chem Phys; 2006 Apr; 124(14):144314. PubMed ID: 16626203
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Theoretical characterization of the low-lying electronic states of NbC.
    Denis PA; Balasubramanian K
    J Chem Phys; 2005 Aug; 123(5):054318. PubMed ID: 16108650
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Assessing the performance of density functional theory for the electronic structure of metal-salens: the 3d(0)-metals.
    Sears JS; Sherrill CD
    J Phys Chem A; 2008 Apr; 112(15):3466-77. PubMed ID: 18338876
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Electronic structure and bonding of the 3d transition metal borides, MB, M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu through all electron ab initio calculations.
    Tzeli D; Mavridis A
    J Chem Phys; 2008 Jan; 128(3):034309. PubMed ID: 18205500
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Electronic structure of the [MNH2]+ (M = Sc-Cu) complexes.
    Hendrickx MF; Clima S
    J Phys Chem A; 2006 Nov; 110(46):12629-35. PubMed ID: 17107114
    [TBL] [Abstract][Full Text] [Related]  

  • 12. CASPT2 study of inverse sandwich-type dinuclear 3d transition metal complexes of ethylene and dinitrogen molecules: similarities and differences in geometry, electronic structure, and spin multiplicity.
    Nakagaki M; Sakaki S
    Phys Chem Chem Phys; 2015 Jul; 17(25):16294-305. PubMed ID: 26041561
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Assessing the performance of density functional theory for the electronic structure of metal-salens: the d2-metals.
    Sears JS; Sherrill CD
    J Phys Chem A; 2008 Jul; 112(29):6741-52. PubMed ID: 18593130
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Time-dependent density functional calculations on the electronic spectra of the neutral nickel complex [Ni(LISQ)2] (LISQ = 3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) and its monoanion and dication.
    Bachler V
    J Comput Chem; 2009 Oct; 30(13):2087-98. PubMed ID: 19229945
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Importance of direct spin-spin coupling and spin-flip excitations for the zero-field splittings of transition metal complexes: a case study.
    Neese F
    J Am Chem Soc; 2006 Aug; 128(31):10213-22. PubMed ID: 16881651
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters.
    Marti KH; Ondík IM; Moritz G; Reiher M
    J Chem Phys; 2008 Jan; 128(1):014104. PubMed ID: 18190182
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio configuration-interaction study of the ground and low-lying electronic states of NiI.
    Yang CL; Gao F; Zhang XY; Han KL
    J Chem Phys; 2005 Nov; 123(20):204308. PubMed ID: 16351257
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Multireference calculations of the electronic structure of VF2 and VCl2.
    Vogel M; Wenzel W
    J Chem Phys; 2005 Nov; 123(19):194110. PubMed ID: 16321079
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electronic structure study of seven-coordinate first-row transition metal complexes derived from 1,10-diaza-15-crown-5: a successful marriage of theory with experiment.
    Platas-Iglesias C; Vaiana L; Esteban-Gómez D; Avecilla F; Real JA; de Blas A; Rodríguez-Blas T
    Inorg Chem; 2005 Dec; 44(26):9704-13. PubMed ID: 16363839
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.