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 *

217 related articles for article (PubMed ID: 24618746)

  • 1. Electronic structure investigation of the evanescent AtO(+) ion.
    Pereira Gomes AS; Réal F; Galland N; Angeli C; Cimiraglia R; Vallet V
    Phys Chem Chem Phys; 2014 May; 16(20):9238-48. PubMed ID: 24618746
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical investigation of electronic states and spectroscopic properties of tellurium selenide molecule employing relativistic effective core potentials.
    Chattopadhyaya S; Nath A; Das KK
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():618-28. PubMed ID: 24509540
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Real versus artifactual symmetry-breaking effects in Hartree-Fock, density-functional, and coupled-cluster methods.
    Russ NJ; Crawford TD; Tschumper GS
    J Chem Phys; 2004 Apr; 120(16):7298-306. PubMed ID: 15267639
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation.
    Isegawa M; Truhlar DG
    J Chem Phys; 2013 Apr; 138(13):134111. PubMed ID: 23574212
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states.
    Villaume S; Daniel C; Strich A; Perera SA; Bartlett RJ
    J Chem Phys; 2005 Jan; 122(4):44313. PubMed ID: 15740254
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT.
    Yang K; Peverati R; Truhlar DG; Valero R
    J Chem Phys; 2011 Jul; 135(4):044118. PubMed ID: 21806101
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.
    Rössler N; Kotsis K; Staemmler V
    Phys Chem Chem Phys; 2006 Feb; 8(6):697-706. PubMed ID: 16482309
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies.
    Isegawa M; Peverati R; Truhlar DG
    J Chem Phys; 2012 Dec; 137(24):244104. PubMed ID: 23277925
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Electronic structure of CeF from frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory.
    Tatewaki H; Yamamoto S; Watanabe Y; Nakano H
    J Chem Phys; 2008 Jun; 128(21):214901. PubMed ID: 18537445
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Variational versus Perturbational Treatment of Spin-Orbit Coupling in Relativistic Density Functional Calculations of Electronic g Factors: Effects from Spin-Polarization and Exact Exchange.
    Verma P; Autschbach J
    J Chem Theory Comput; 2013 Feb; 9(2):1052-67. PubMed ID: 26588748
    [TBL] [Abstract][Full Text] [Related]  

  • 16. How Much Can Density Functional Approximations (DFA) Fail? The Extreme Case of the FeO4 Species.
    Huang W; Xing DH; Lu JB; Long B; Schwarz WH; Li J
    J Chem Theory Comput; 2016 Apr; 12(4):1525-33. PubMed ID: 26938575
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy.
    Roemelt M; Maganas D; DeBeer S; Neese F
    J Chem Phys; 2013 May; 138(20):204101. PubMed ID: 23742448
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies.
    Schapiro I; Sivalingam K; Neese F
    J Chem Theory Comput; 2013 Aug; 9(8):3567-80. PubMed ID: 26584112
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Taming the low-lying electronic states of FeH.
    DeYonker NJ; Allen WD
    J Chem Phys; 2012 Dec; 137(23):234303. PubMed ID: 23267482
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electronic structures and bonding of CeF: a frozen-core four-component relativistic configuration interaction study.
    Wasada-Tsutsui Y; Watanabe Y; Tatewaki H
    J Phys Chem A; 2007 Sep; 111(36):8877-83. PubMed ID: 17705453
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.