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 *

190 related articles for article (PubMed ID: 24116560)

  • 1. Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: theory, implementation, and applications to spin-orbit splitting of lower p-block atoms.
    Kim I; Lee YS
    J Chem Phys; 2013 Oct; 139(13):134115. PubMed ID: 24116560
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potential.
    Kim I; Lee YS
    J Chem Phys; 2014 Oct; 141(16):164104. PubMed ID: 25362269
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A direct relativistic four-component multiconfiguration self-consistent-field method for molecules.
    Thyssen J; Fleig T; Jensen HJ
    J Chem Phys; 2008 Jul; 129(3):034109. PubMed ID: 18647018
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Closed-shell coupled-cluster theory with spin-orbit coupling.
    Wang F; Gauss J; van Wüllen C
    J Chem Phys; 2008 Aug; 129(6):064113. PubMed ID: 18715057
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elements.
    Sen S; Shee A; Mukherjee D
    J Chem Phys; 2018 Feb; 148(5):054107. PubMed ID: 29421893
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A simplified relativistic time-dependent density-functional theory formalism for the calculations of excitation energies including spin-orbit coupling effect.
    Wang F; Ziegler T
    J Chem Phys; 2005 Oct; 123(15):154102. PubMed ID: 16252937
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Localization scheme for relativistic spinors.
    Ciupka J; Hanrath M; Dolg M
    J Chem Phys; 2011 Dec; 135(24):244101. PubMed ID: 22225138
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A theoretical study of the excited states of AmO2n+, n=1,2,3.
    Notter FP; Dubillard S; Bolvin H
    J Chem Phys; 2008 Apr; 128(16):164315. PubMed ID: 18447447
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Fully relativistic complete active space self-consistent field for large molecules: quasi-second-order minimax optimization.
    Bates JE; Shiozaki T
    J Chem Phys; 2015 Jan; 142(4):044112. PubMed ID: 25637974
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group.
    Hoyer CE; Hu H; Lu L; Knecht S; Li X
    J Phys Chem A; 2022 Aug; 126(30):5011-5020. PubMed ID: 35881436
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Model core potentials for studies of scalar-relativistic effects and spin-orbit coupling at Douglas-Kroll level. I. Theory and applications to Pb and Bi.
    Zeng T; Fedorov DG; Klobukowski M
    J Chem Phys; 2009 Sep; 131(12):124109. PubMed ID: 19791854
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The calculation of excitation energies based on the relativistic two-component zeroth-order regular approximation and time-dependent density-functional with full use of symmetry.
    Wang F; Ziegler T; van Lenthe E; van Gisbergen S; Baerends EJ
    J Chem Phys; 2005 May; 122(20):204103. PubMed ID: 15945709
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Time-dependent four-component relativistic density functional theory for excitation energies.
    Gao J; Liu W; Song B; Liu C
    J Chem Phys; 2004 Oct; 121(14):6658-66. PubMed ID: 15473721
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Gradients for two-component quasirelativistic methods. Application to dihalogenides of element 116.
    van Wüllen C; Langermann N
    J Chem Phys; 2007 Mar; 126(11):114106. PubMed ID: 17381195
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Relativistic two-component formulation of time-dependent current-density functional theory: application to the linear response of solids.
    Romaniello P; de Boeij PL
    J Chem Phys; 2007 Nov; 127(17):174111. PubMed ID: 17994811
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Relativistic and non-relativistic electronic molecular-structure calculations for dimers of 4p-, 5p-, and 6p-block elements.
    Höfener S; Ahlrichs R; Knecht S; Visscher L
    Chemphyschem; 2012 Dec; 13(17):3952-7. PubMed ID: 23011906
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The relativistic complete active-space second-order perturbation theory with the four-component Dirac Hamiltonian.
    Abe M; Nakajima T; Hirao K
    J Chem Phys; 2006 Dec; 125(23):234110. PubMed ID: 17190550
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Theoretical analysis of the spin Hamiltonian parameters in Co(II)S4 complexes, using density functional theory and correlated ab initio methods.
    Maganas D; Sottini S; Kyritsis P; Groenen EJ; Neese F
    Inorg Chem; 2011 Sep; 50(18):8741-54. PubMed ID: 21848258
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Spin-Orbit Effects, VSEPR Theory, and the Electronic Structures of Heavy and Superheavy Group IVA Hydrides and Group VIIIA Tetrafluorides. A Partial Role Reversal for Elements 114 and 118.
    Nash CS; Bursten BE
    J Phys Chem A; 1999 Jan; 103(3):402-410. PubMed ID: 27676357
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.