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 *

116 related articles for article (PubMed ID: 33983029)

  • 41. Adiabatic approximation of time-dependent density matrix functional response theory.
    Pernal K; Giesbertz K; Gritsenko O; Baerends EJ
    J Chem Phys; 2007 Dec; 127(21):214101. PubMed ID: 18067343
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations.
    Meek GA; Levine BG
    J Phys Chem Lett; 2014 Jul; 5(13):2351-6. PubMed ID: 26279558
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Theoretical spectroscopy of the calcium dimer in the A 1Sigma(u)+, c3Pi(u), and a3Sigma(u)+ manifolds: an ab initio nonadiabatic treatment.
    Bussery-Honvault B; Launay JM; Korona T; Moszynski R
    J Chem Phys; 2006 Sep; 125(11):114315. PubMed ID: 16999482
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Fast Numerical Evaluation of Time-Derivative Nonadiabatic Couplings for Mixed Quantum-Classical Methods.
    Ryabinkin IG; Nagesh J; Izmaylov AF
    J Phys Chem Lett; 2015 Nov; 6(21):4200-3. PubMed ID: 26538034
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane.
    Huix-Rotllant M; Natarajan B; Ipatov A; Wawire CM; Deutsch T; Casida ME
    Phys Chem Chem Phys; 2010 Oct; 12(39):12811-25. PubMed ID: 20820556
    [TBL] [Abstract][Full Text] [Related]  

  • 46. 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]  

  • 47. Excited electronic states and nonadiabatic effects in contemporary chemical dynamics.
    Mahapatra S
    Acc Chem Res; 2009 Aug; 42(8):1004-15. PubMed ID: 19456094
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Mean-field dynamics with stochastic decoherence (MF-SD): a new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence.
    Bedard-Hearn MJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2005 Dec; 123(23):234106. PubMed ID: 16392913
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Spin-Flip Density Functional Theory for the Redox Properties of Organic Photoredox Catalysts in Excited States.
    Choi J; Kim H
    J Chem Theory Comput; 2021 Feb; 17(2):767-776. PubMed ID: 33449691
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Magnetic Coupling in Transition-Metal Binuclear Complexes by Spin-Flip Time-Dependent Density Functional Theory.
    Valero R; Illas F; Truhlar DG
    J Chem Theory Comput; 2011 Nov; 7(11):3523-31. PubMed ID: 26598250
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Theoretical and numerical assessments of spin-flip time-dependent density functional theory.
    Li Z; Liu W
    J Chem Phys; 2012 Jan; 136(2):024107. PubMed ID: 22260564
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Spin-flip approach within time-dependent density functional tight-binding method: Theory and applications.
    Inamori M; Yoshikawa T; Ikabata Y; Nishimura Y; Nakai H
    J Comput Chem; 2020 Jun; 41(16):1538-1548. PubMed ID: 32220108
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Time-dependent density functional theory based on a noncollinear formulation of the exchange-correlation potential.
    Wang F; Ziegler T
    J Chem Phys; 2004 Dec; 121(24):12191-6. PubMed ID: 15606237
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlation.
    Mayhall NJ; Head-Gordon M
    J Chem Phys; 2014 Jul; 141(4):044112. PubMed ID: 25084886
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Singlet-Triplet Gaps through Incremental Full Configuration Interaction.
    Zimmerman PM
    J Phys Chem A; 2017 Jun; 121(24):4712-4720. PubMed ID: 28530830
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Propagator corrections to adiabatic time-dependent density-functional theory linear response theory.
    Casida ME
    J Chem Phys; 2005 Feb; 122(5):54111. PubMed ID: 15740314
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Calculation of indirect nuclear spin-spin coupling constants within the regular approximation for relativistic effects.
    Filatov M; Cremer D
    J Chem Phys; 2004 Jun; 120(24):11407-22. PubMed ID: 15268175
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Towards high resolution monitoring of water flow velocity using flat flexible thin mm-sized resistance-typed sensor film (MRSF).
    Xu Z; Fan Y; Wang T; Huang Y; MahmoodPoor Dehkordy F; Dai Z; Xia L; Dong Q; Bagtzoglou A; McCutcheon J; Lei Y; Li B
    Water Res X; 2019 Aug; 4():100028. PubMed ID: 31334492
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Excitation energies from range-separated time-dependent density and density matrix functional theory.
    Pernal K
    J Chem Phys; 2012 May; 136(18):184105. PubMed ID: 22583275
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Performance of TDDFT with and without spin-flip in trajectory surface hopping dynamics: cis-trans azobenzene photoisomerization.
    Yue L; Liu Y; Zhu C
    Phys Chem Chem Phys; 2018 Oct; 20(37):24123-24139. PubMed ID: 30206584
    [TBL] [Abstract][Full Text] [Related]  

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