{
  "annotation_id": "85dfdb5d-d089-4d13-88b4-7a58b4056cc1",
  "date_created": "2026-03-02T18:00:28.737000Z",
  "date_modified": "2026-03-02T18:00:28.737000Z",
  "file_hash": "d74e93ec73dbb285346b6bebf5482467eb3f417acc0c06fb9e0e08be93887601",
  "private": false,
  "record": {
    "abstract": "The isotope effect in the scattering of methane is studied by wavepacket\nsimulations of oriented CH4 and CD4 molecules from a flat surface including all\nnine internal vibrations. At a translational energy up to 96 kJ/mol we find\nthat the scattering is still predominantly elastic, but less so for CD4. Energy\ndistribution analysis of the kinetic energy per mode and the potential energy\nsurface terms, when the molecule hits the surface, are used in combination with\nvibrational excitations and the corresponding deformation. They indicate that\nthe orientation with three bonds pointing towards the surface is mostly\nresponsible for the isotope effect in the methane dissociation.",
    "arxiv_id": "physics/0003031",
    "authors": [
      "R. Milot",
      "A. P. J. Jansen"
    ],
    "categories": [
      "physics.chem-ph",
      "physics.comp-ph"
    ],
    "doi": "10.1016/S0039-6028(00)00322-8",
    "journal_ref": "Surface Science 452, 179-190 (2000).",
    "title": "Energy distribution analysis of the wavepacket simulations of CH4 and   CD4 scattering",
    "url": "https://arxiv.org/abs/physics/0003031"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "7adf5580-315b-4302-a7d9-df4038ef8780",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}