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 *

210 related articles for article (PubMed ID: 22823338)

  • 1. Semiclassical hybrid approach to condensed phase molecular dynamics: application to the I2Kr17 cluster.
    Buchholz M; Goletz CM; Grossmann F; Schmidt B; Heyda J; Jungwirth P
    J Phys Chem A; 2012 Nov; 116(46):11199-210. PubMed ID: 22823338
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Decoherence and dissipation in a molecular system coupled to an environment: an application of semiclassical hybrid dynamics.
    Goletz CM; Grossmann F
    J Chem Phys; 2009 Jun; 130(24):244107. PubMed ID: 19566142
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A semiclassical hybrid approach to many particle quantum dynamics.
    Grossmann F
    J Chem Phys; 2006 Jul; 125(1):014111. PubMed ID: 16863291
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Simulation of vibrational dephasing of I(2) in solid Kr using the semiclassical Liouville method.
    Riga JM; Fredj E; Martens CC
    J Chem Phys; 2006 Feb; 124(6):64506. PubMed ID: 16483219
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
    Koch DM; Peslherbe GH
    J Phys Chem B; 2008 Jan; 112(2):636-49. PubMed ID: 18183959
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum initial condition sampling for linearized density matrix dynamics: Vibrational pure dephasing of iodine in krypton matrices.
    Ma Z; Coker DF
    J Chem Phys; 2008 Jun; 128(24):244108. PubMed ID: 18601318
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Semiclassical treatments for small-molecule dynamics in low-temperature crystals using fixed and adiabatic vibrational bases.
    Chapman CT; Cina JA
    J Chem Phys; 2007 Sep; 127(11):114502. PubMed ID: 17887852
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Variational mixed quantum/semiclassical simulation of dihalogen guest and rare-gas solid host dynamics.
    Cheng X; Cina JA
    J Chem Phys; 2014 Jul; 141(3):034113. PubMed ID: 25053307
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Quantum dynamics and spectroscopy of dihalogens in solid matrices. II. Theoretical aspects and G-MCTDH simulations of time-resolved coherent Raman spectra of Schrödinger cat states of the embedded I
    Picconi D; Cina JA; Burghardt I
    J Chem Phys; 2019 Feb; 150(6):064112. PubMed ID: 30769994
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Application of Heisenberg's S matrix program to the angular scattering of the H + D2(v(i) = 0, j(i) = 0) → HD(v(f) = 3, j(f) = 0) + D reaction: piecewise S matrix elements using linear, quadratic, step-function, and top-hat parametrizations.
    Shan X; Connor JN
    J Phys Chem A; 2012 Nov; 116(46):11414-26. PubMed ID: 22876759
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: applications to condensed phase systems.
    Liu J; Miller WH
    J Chem Phys; 2007 Sep; 127(11):114506. PubMed ID: 17887856
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian.
    Sardar S; Paul AK; Mondal P; Sarkar B; Adhikari S
    Phys Chem Chem Phys; 2008 Nov; 10(42):6388-98. PubMed ID: 18972027
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Mixed quantum/semiclassical wave-packet dynamical method for condensed-phase molecular spectroscopy signals.
    Kovac PA; Cina JA
    J Chem Phys; 2017 Dec; 147(22):224112. PubMed ID: 29246053
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: application to 1H NMR of nematic liquid crystals.
    Segnorile HH; Zamar RC
    J Chem Phys; 2011 Dec; 135(24):244509. PubMed ID: 22225171
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution.
    Turi L; Rossky PJ
    J Chem Phys; 2004 Feb; 120(8):3688-98. PubMed ID: 15268531
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Vibrational energy relaxation of a hydrogen-bonded complex dissolved in a polar liquid via the mixed quantum-classical Liouville method.
    Hanna G; Geva E
    J Phys Chem B; 2008 Apr; 112(13):4048-58. PubMed ID: 18331018
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Vibrational dynamics of the H5(+) and its isotopologues from multiconfiguration time-dependent Hartree calculations.
    Valdés Á; Prosmiti R; Delgado-Barrio G
    J Chem Phys; 2012 Dec; 137(21):214308. PubMed ID: 23231232
    [TBL] [Abstract][Full Text] [Related]  

  • 19. New insights into the semiclassical Wigner treatment of photodissociation dynamics.
    Arbelo-González W; Bonnet L; García-Vela A
    Phys Chem Chem Phys; 2013 Jul; 15(25):9994-10011. PubMed ID: 23712618
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation.
    Tanzi L; Ramondo F; Guidoni L
    J Phys Chem A; 2012 Oct; 116(41):10160-71. PubMed ID: 23004913
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.