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Roger A. Klein: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Roger A. Klein
    Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1: 1 complex formation with water. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:6, pp:585-599 [Journal]
  2. Roger A. Klein
    Hydrogen bonding in diols and binary diol-water systems investigated using DFT methods. II. Calculated infrared OH-stretch frequencies, force constants, and NMR chemical shifts correlate with hydrogen bond geometry and electron density topology. A reevalu [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:9, pp:1120-1131 [Journal]

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