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Journal Abstract Search

105 related items for PubMed ID: 16409018

  • 21. Quantum tunneling dynamics using entangled trajectories: general potentials.
    Wang A, Zheng Y, Martens CC, Ren W.
    Phys Chem Chem Phys; 2009 Mar 14; 11(10):1588-94. PubMed ID: 19240936
    [Abstract] [Full Text] [Related]

  • 22. A multidimensional discrete variable representation basis obtained by simultaneous diagonalization.
    Dawes R, Carrington T.
    J Chem Phys; 2004 Jul 08; 121(2):726-36. PubMed ID: 15260599
    [Abstract] [Full Text] [Related]

  • 23. VAMPyR-A high-level Python library for mathematical operations in a multiwavelet representation.
    Bjørgve M, Tantardini C, Jensen SR, Gerez S GA, Wind P, Di Remigio Eikås R, Dinvay E, Frediani L.
    J Chem Phys; 2024 Apr 28; 160(16):. PubMed ID: 38666572
    [Abstract] [Full Text] [Related]

  • 24. Construction of arbitrary dimensional biorthogonal multiwavelet using lifting scheme.
    Gao X, Xiao F, Li B.
    IEEE Trans Image Process; 2009 May 28; 18(5):942-55. PubMed ID: 19342334
    [Abstract] [Full Text] [Related]

  • 25. Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules.
    Toulouse J, Umrigar CJ.
    J Chem Phys; 2008 May 07; 128(17):174101. PubMed ID: 18465904
    [Abstract] [Full Text] [Related]

  • 26. The energy gap as a universal reaction coordinate for the simulation of chemical reactions.
    Mones L, Kulhánek P, Simon I, Laio A, Fuxreiter M.
    J Phys Chem B; 2009 Jun 04; 113(22):7867-73. PubMed ID: 19432459
    [Abstract] [Full Text] [Related]

  • 27. Optimal grids for generalized finite basis and discrete variable representations: definition and method of calculation.
    Szalay V.
    J Chem Phys; 2006 Oct 21; 125(15):154115. PubMed ID: 17059247
    [Abstract] [Full Text] [Related]

  • 28. Quantum-mechanical wavepacket propagation in a sparse, adaptive basis of interpolating Gaussians with collocation.
    Sielk J, von Horsten HF, Krüger F, Schneider R, Hartke B.
    Phys Chem Chem Phys; 2009 Jan 21; 11(3):463-75. PubMed ID: 19283263
    [Abstract] [Full Text] [Related]

  • 29. Proton transfer in a polar solvent from ring polymer reaction rate theory.
    Collepardo-Guevara R, Craig IR, Manolopoulos DE.
    J Chem Phys; 2008 Apr 14; 128(14):144502. PubMed ID: 18412454
    [Abstract] [Full Text] [Related]

  • 30. Towards a highly efficient theoretical treatment of Jahn-Teller effects in molecular spectra: the 1 2A and 2 2A electronic states of the ethoxy radical.
    Young RA, Yarkony DR.
    J Chem Phys; 2006 Dec 21; 125(23):234301. PubMed ID: 17190552
    [Abstract] [Full Text] [Related]

  • 31. Vibrationally mediated photodissociation of ammonia: the influence of N-H stretching vibrations on passage through conical intersections.
    Hause ML, Yoon YH, Crim FF.
    J Chem Phys; 2006 Nov 07; 125(17):174309. PubMed ID: 17100441
    [Abstract] [Full Text] [Related]

  • 32. Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity.
    McKean DC, Craig NC, Law MM.
    J Phys Chem A; 2008 Jul 24; 112(29):6760-71. PubMed ID: 18582021
    [Abstract] [Full Text] [Related]

  • 33. 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 14; 10(42):6388-98. PubMed ID: 18972027
    [Abstract] [Full Text] [Related]

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  • 36. Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors.
    Brakestad A, Wind P, Jensen SR, Frediani L, Hopmann KH.
    J Chem Phys; 2021 Jun 07; 154(21):214302. PubMed ID: 34240981
    [Abstract] [Full Text] [Related]

  • 37. Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis.
    Al-Saidi WA, Zhang S, Krakauer H.
    J Chem Phys; 2006 Jun 14; 124(22):224101. PubMed ID: 16784257
    [Abstract] [Full Text] [Related]

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  • 39. Time-dependent quantum Monte Carlo and the stochastic quantization.
    Christov IP.
    J Chem Phys; 2007 Oct 07; 127(13):134110. PubMed ID: 17919014
    [Abstract] [Full Text] [Related]

  • 40. Mode selective tunneling dynamics observed by high resolution spectroscopy of the bending fundamentals of 14NH2D and 14ND2H.
    Snels M, Hollenstein H, Quack M.
    J Chem Phys; 2006 Nov 21; 125(19):194319. PubMed ID: 17129115
    [Abstract] [Full Text] [Related]

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