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. 2014 Jun 17;140(23):234105. doi: 10.1063/1.4882258

FIG. 8.

FIG. 8.

Validation of the completely global aFRI for the vibrational analysis of three small molecules (υ = 2). First row: three vibrational modes for H2O (η = 1 Å); second and third rows: four vibrational modes for CO2 (η = 1 Å); last two rows: six vibrational modes for CH2O (η = 2 Å). All three-dimensional images are rendered using VMD.18