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 *

118 related articles for article (PubMed ID: 25725719)

  • 21. Spin-orbit coupling in O2(upsilon)+O2 collisions: I. Electronic structure calculations on dimer states involving the X 3Sigmag-, a 1Deltag, and b 1Sigmag+ states of O2.
    Dayou F; Hernández MI; Campos-Martínez J; Hernández-Lamoneda R
    J Chem Phys; 2005 Aug; 123(7):074311. PubMed ID: 16229574
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Explicitly correlated multireference configuration interaction with multiple reference functions: avoided crossings and conical intersections.
    Shiozaki T; Werner HJ
    J Chem Phys; 2011 May; 134(18):184104. PubMed ID: 21568494
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states.
    Fang T; Shen J; Li S
    J Chem Phys; 2008 Dec; 129(23):234106. PubMed ID: 19102525
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix.
    Greenman L; Mazziotti DA
    J Chem Phys; 2008 Mar; 128(11):114109. PubMed ID: 18361556
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the Hirshfeld-I partitioning of the electron density.
    Vanfleteren D; Ghillemijn D; Van Neck D; Bultinck P; Waroquier M; Ayers PW
    J Comput Chem; 2011 Dec; 32(16):3485-96. PubMed ID: 21919019
    [TBL] [Abstract][Full Text] [Related]  

  • 26. An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings.
    Pavanello M; Van Voorhis T; Visscher L; Neugebauer J
    J Chem Phys; 2013 Feb; 138(5):054101. PubMed ID: 23406092
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Efficient implementation of restricted active space configuration interaction with the hole and particle approximation.
    Casanova D
    J Comput Chem; 2013 Apr; 34(9):720-30. PubMed ID: 23224785
    [TBL] [Abstract][Full Text] [Related]  

  • 28. The role of the excited electronic states in the C+ + H2O reaction.
    Flores JR; González AB
    J Chem Phys; 2008 Apr; 128(14):144310. PubMed ID: 18412448
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Elastic and charge transfer processes in H+ + CO collisions.
    Dhilip Kumar TJ; Saieswari A; Kumar S
    J Chem Phys; 2006 Jan; 124(3):034314. PubMed ID: 16438590
    [TBL] [Abstract][Full Text] [Related]  

  • 30. An exploration of electronic structure and nuclear dynamics in tropolone: II. The A (1)B2 (pi* pi) excited state.
    Burns LA; Murdock D; Vaccaro PH
    J Chem Phys; 2009 Apr; 130(14):144304. PubMed ID: 19368442
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Electronic properties of anthracene derivatives for blue light emitting electroluminescent layers in organic light emitting diodes: a density functional theory study.
    Raghunath P; Reddy MA; Gouri C; Bhanuprakash K; Rao VJ
    J Phys Chem A; 2006 Jan; 110(3):1152-62. PubMed ID: 16420020
    [TBL] [Abstract][Full Text] [Related]  

  • 32. 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]  

  • 33. State-averaged Monte Carlo configuration interaction applied to electronically excited states.
    Coe JP; Paterson MJ
    J Chem Phys; 2013 Oct; 139(15):154103. PubMed ID: 24160496
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelization.
    Petrenko T; Kossmann S; Neese F
    J Chem Phys; 2011 Feb; 134(5):054116. PubMed ID: 21303101
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Orthogonality constrained density functional theory for electronic excited states.
    Evangelista FA; Shushkov P; Tully JC
    J Phys Chem A; 2013 Aug; 117(32):7378-92. PubMed ID: 23590595
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Energy partitioning scheme based on self-consistent method for subsystems: populational space approach.
    De Silva P; Korchowiec J
    J Comput Chem; 2011 Apr; 32(6):1054-64. PubMed ID: 21387333
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Quantum solvent states and rovibrational spectra of small doped (3)He clusters through the full-configuration-interaction nuclear orbital approach: The ((3)He)(N)-Cl(2)(X) case (Nde Lara-Castells MP; Aguirre NF; Villarreal P; Barrio GD; Mitrushchenkov AO
    J Chem Phys; 2010 May; 132(19):194313. PubMed ID: 20499969
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Open-shell molecular electronic states from the parametric two-electron reduced-density-matrix method.
    DePrince AE; Mazziotti DA
    J Chem Phys; 2009 Apr; 130(16):164109. PubMed ID: 19405563
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Molecular properties of excited electronic state: formalism, implementation, and applications of analytical second energy derivatives within the framework of the time-dependent density functional theory/molecular mechanics.
    Zeng Q; Liu J; Liang W
    J Chem Phys; 2014 May; 140(18):18A506. PubMed ID: 24832314
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Scaled opposite-spin CC2 for ground and excited states with fourth order scaling computational costs.
    Winter NO; Hättig C
    J Chem Phys; 2011 May; 134(18):184101. PubMed ID: 21568491
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.