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Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol

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GENERALIZED GRADIENT APPROXIMATION, DENSITY-FUNCTIONAL THEORY, SOLVENT ELECTROSTATIC POTENTIALS, 1ST PRINCIPLES SIMULATIONS, FREE SCF ALGORITHM, AB-INITIO, NEUTRON-DIFFRACTION, INTERMOLECULAR INTERACTIONS, VIBRATIONAL FREQUENCIES, STRUCTURE REFINEMENT

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Chicago
Van Houteghem, Marc, Toon Verstraelen, An Ghysels, Louis Vanduyfhuys, Michel Waroquier, and Veronique Van Speybroeck. 2012. “Analysis of the Basis Set Superposition Error in Molecular Dynamics of Hydrogen-bonded Liquids: Application to Methanol.” Journal of Chemical Physics 137 (10).
APA
Van Houteghem, M., Verstraelen, T., Ghysels, A., Vanduyfhuys, L., Waroquier, M., & Van Speybroeck, V. (2012). Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol. JOURNAL OF CHEMICAL PHYSICS, 137(10).
Vancouver
1.
Van Houteghem M, Verstraelen T, Ghysels A, Vanduyfhuys L, Waroquier M, Van Speybroeck V. Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol. JOURNAL OF CHEMICAL PHYSICS. 2012;137(10).
MLA
Van Houteghem, Marc, Toon Verstraelen, An Ghysels, et al. “Analysis of the Basis Set Superposition Error in Molecular Dynamics of Hydrogen-bonded Liquids: Application to Methanol.” JOURNAL OF CHEMICAL PHYSICS 137.10 (2012): n. pag. Print.
@article{3006357,
  articleno    = {104506},
  author       = {Van Houteghem, Marc and Verstraelen, Toon and Ghysels, An and Vanduyfhuys, Louis and Waroquier, Michel and Van Speybroeck, Veronique},
  issn         = {0021-9606},
  journal      = {JOURNAL OF CHEMICAL PHYSICS},
  keyword      = {GENERALIZED GRADIENT APPROXIMATION,DENSITY-FUNCTIONAL THEORY,SOLVENT ELECTROSTATIC POTENTIALS,1ST PRINCIPLES SIMULATIONS,FREE SCF ALGORITHM,AB-INITIO,NEUTRON-DIFFRACTION,INTERMOLECULAR INTERACTIONS,VIBRATIONAL FREQUENCIES,STRUCTURE REFINEMENT},
  language     = {eng},
  number       = {10},
  pages        = {11},
  title        = {Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol},
  url          = {http://dx.doi.org/10.1063/1.4749929},
  volume       = {137},
  year         = {2012},
}

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