The structure and dynamics of crystalline durene by neutron scattering and numerical modelling using density functional methods
- 1 November 2000
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 261 (1-2) , 189-203
- https://doi.org/10.1016/s0301-0104(00)00229-9
Abstract
No abstract availableKeywords
This publication has 48 references indexed in Scilit:
- Quantitative Atom-Atom Potentials from Rotational Tunneling: Their Extraction and Their UseAnnual Review of Physical Chemistry, 2000
- Single-molecule dynamics in a molecular cluster – a semi-emprical approach.Physica B: Condensed Matter, 2000
- The physics of protein foldingPhysics World, 1999
- Vibrations of the cubane molecule: inelastic neutron scattering study and theoryChemical Physics Letters, 1999
- Methyl group tunneling—A quantitative probe of atom–atom potentialsThe Journal of Chemical Physics, 1997
- Inelastic Neutron Scattering Study of Hydrogen-Bonded Solid Formamide at 15 KThe Journal of Physical Chemistry A, 1997
- Symmetrised quantum-mechanical force-fields and INS spectra: s-triazine, trichloro-s-triazine and pyrazineChemical Physics, 1997
- Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale FactorsThe Journal of Physical Chemistry, 1996
- Dynamics of crystalline acetanilide: Analysis using neutron scattering and computer simulationThe Journal of Chemical Physics, 1995
- Observation of the set of the three sublevel phosphorescence spectra. III. External heavy atom effect on the phosphorescence spectra of quinoxaline and 2,3-dichloroquinoxalineThe Journal of Chemical Physics, 1981