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 *

209 related articles for article (PubMed ID: 27544090)

  • 1. Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential.
    Pathak H; Sasmal S; Nayak MK; Vaval N; Pal S
    J Chem Phys; 2016 Aug; 145(7):074110. PubMed ID: 27544090
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states.
    Pathak H; Sasmal S; Talukdar K; Nayak MK; Vaval N; Pal S
    J Chem Phys; 2020 Mar; 152(10):104302. PubMed ID: 32171231
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory.
    Zhang T; Banerjee S; Koulias LN; Valeev EF; DePrince AE; Li X
    J Phys Chem A; 2024 May; 128(17):3408-3418. PubMed ID: 38651293
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Equation-of-motion coupled-cluster theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states.
    Shee A; Saue T; Visscher L; Severo Pereira Gomes A
    J Chem Phys; 2018 Nov; 149(17):174113. PubMed ID: 30409011
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework.
    Sasmal S; Pathak H; Nayak MK; Vaval N; Pal S
    J Chem Phys; 2015 Aug; 143(8):084119. PubMed ID: 26328830
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Reappraisal of nuclear quadrupole moments of atomic halogens via relativistic coupled cluster linear response theory for the ionization process.
    Chaudhuri RK; Chattopadhyay S; Mahapatra US
    J Phys Chem A; 2013 Nov; 117(47):12616-27. PubMed ID: 24171543
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction.
    Coriani S; Helgaker T; Jørgensen P; Klopper W
    J Chem Phys; 2004 Oct; 121(14):6591-8. PubMed ID: 15473713
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Benchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and scalar-relativistic coupled-cluster methods.
    Cheng L
    J Chem Phys; 2015 Aug; 143(6):064301. PubMed ID: 26277132
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Two-Component Relativistic Equation-of-Motion Coupled-Cluster Methods for Excitation Energies and Ionization Potentials of Atoms and Molecules.
    Akinaga Y; Nakajima T
    J Phys Chem A; 2017 Feb; 121(4):827-835. PubMed ID: 28118002
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory.
    Belpassi L; Tarantelli F; Sgamellotti A; Quiney HM
    J Chem Phys; 2008 Mar; 128(12):124108. PubMed ID: 18376909
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Two- and four-component relativistic generalized-active-space coupled cluster method: implementation and application to BiH.
    Sørensen LK; Olsen J; Fleig T
    J Chem Phys; 2011 Jun; 134(21):214102. PubMed ID: 21663339
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (M(p+) = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+).
    Gourlaouen C; Piquemal JP; Saue T; Parisel O
    J Comput Chem; 2006 Jan; 27(2):142-56. PubMed ID: 16312018
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Relativistic coupled cluster (RCC) computation of the electric dipole moment enhancement factor of francium due to the violation of time reversal symmetry.
    Mukherjee D; Sahoo BK; Nataraj HS; Das BP
    J Phys Chem A; 2009 Nov; 113(45):12549-57. PubMed ID: 19795824
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Electronic structure of three-dimensional isotropic quantum dots by four-component relativistic coupled cluster methods.
    Yakobi H; Eliav E; Kaldor U
    J Chem Phys; 2011 Feb; 134(5):054503. PubMed ID: 21303134
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster.
    Koulias LN; Williams-Young DB; Nascimento DR; DePrince AE; Li X
    J Chem Theory Comput; 2019 Dec; 15(12):6617-6624. PubMed ID: 31618584
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ab initio studies of atomic properties and experimental behavior of element 119 and its lighter homologs.
    Borschevsky A; Pershina V; Eliav E; Kaldor U
    J Chem Phys; 2013 Mar; 138(12):124302. PubMed ID: 23556718
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Excitation Energies from Real-Time Propagation of the Four-Component Dirac-Kohn-Sham Equation.
    Repisky M; Konecny L; Kadek M; Komorovsky S; Malkin OL; Malkin VG; Ruud K
    J Chem Theory Comput; 2015 Mar; 11(3):980-91. PubMed ID: 26579752
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Calculations of nuclear quadrupole coupling in noble gas-noble metal fluorides: interplay of relativistic and electron correlation effects.
    Lantto P; Vaara J
    J Chem Phys; 2006 Nov; 125(17):174315. PubMed ID: 17100447
    [TBL] [Abstract][Full Text] [Related]  

  • 20. General implementation of the relativistic coupled-cluster method.
    Nataraj HS; Kállay M; Visscher L
    J Chem Phys; 2010 Dec; 133(23):234109. PubMed ID: 21186860
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.