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  1.  

    Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach

    Kowalczyk, Timothy Daniel / Tsuchimochi, Takashi / Chen, Po-Ta et al. | DSpace@MIT | 2013
  2.  

    Phase behavior of symmetric disk-coil macromolecules with stacking interactions

    Kim, YongJoo / Alexander-Katz, Alfredo | DSpace@MIT | 2011
  3.  

    On static triplet structures in fluids with quantum behavior

    Sesé, Luis M. | American Institute of Physics | 2018
  4.  

    A comparative study of different methods for calculating electronic transition rates

    Kananenka, Alexei A. / Sun, Xiang / Schubert, Alexander et al. | American Institute of Physics | 2018
  5.  

    Stability and carrier mobility of organic-inorganic hybrid perovskite CH3NH3PbI3 in two-dimensional limit

    Huang, Kui / Lai, Kang / Yan, Chang-Lin et al. | American Institute of Physics | 2017
  6.  

    Elastic electron scattering from nitrobenzene

    Maioli, Leticia S. / Bettega, Márcio H. F. | American Institute of Physics | 2017
  7.  

    Hyperfine interaction constants of 14NO2 in 14 500–16 800 cm−1 energy region

    Tada, Kohei / Hirata, Michihiro / Kasahara, Shunji | American Institute of Physics | 2017
  8.  

    Watching proton transfer in real time: Ultrafast photoionization-induced proton transfer in phenol-ammonia complex cation

    Shen, Ching-Chi / Tsai, Tsung-Ting / Wu, Jun-Yi et al. | American Institute of Physics | 2017
  9.  

    Examining transition metal hydrosulfides: The pure rotational spectrum of ZnSH ( X ̃ 2A′)

    Bucchino, M. P. / Adande, G. R. / Halfen, D. T. et al. | American Institute of Physics | 2017
  10.  

    Formic acid aggregation in 2D supersonic expansions probed by FTIR imaging

    Meyer, Katharina A. E. / Suhm, Martin A. | American Institute of Physics | 2017
  11.  

    Internal force corrections with machine learning for quantum mechanics/molecular mechanics simulations

    Wu, Jingheng / Shen, Lin / Yang, Weitao | American Institute of Physics | 2017
  12.  

    Peptide dimerization-dissociation rates from replica exchange molecular dynamics

    Leahy, Cathal T. / Kells, Adam / Hummer, Gerhard et al. | American Institute of Physics | 2017
  13.  

    Structural evolution and atomic dynamics in Ni–Nb metallic glasses: A molecular dynamics study

    Xu, T. D. / Wang, X. D. / Zhang, H. et al. | American Institute of Physics | 2017
  14.  

    Phase diagram of two-dimensional hard rods from fundamental mixed measure density functional theory

    Wittmann, René / Sitta, Christoph E. / Smallenburg, Frank et al. | American Institute of Physics | 2017
  15.  

    Communication: Broad manifold of excitonic states in light-harvesting complex 1 promotes efficient unidirectional energy transfer in vivo

    Sohail, Sara H. / Dahlberg, Peter D. / Allodi, Marco A. et al. | American Institute of Physics | 2017
  16.  

    Spin switch in iron phthalocyanine on Au(111) surface by hydrogen adsorption

    Wang, Yu / Li, Xiaoguang / Zheng, Xiao et al. | American Institute of Physics | 2017
  17.  

    Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation

    Zhou, Pan-Pan / Liu, Shubin / Ayers, Paul W. et al. | American Institute of Physics | 2017

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