Theory of OH Positions and Intensities

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•  Bellamy LJ, Owen AJ (1969) A simple relation ship between the infrared stretching frequencies and the hydrogen bond distances in crystals. Spectroschimica Acta A25, 329-333.

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• Kubicki JD, Syukes D, Rossman GR (1993) Calculated Trends of OH infrared stretching vibrations with composition and structure in aluminosilicate molecules. Physics and Chemistry of Minerals 20, 425-432.

•  Wright K, Freer R, Catlow CRA (1994) The energetics and structure of the hydrogarnet defect in grossular: A computer simulation study. Physics and Chemistry of Minerals 20, 500-503.

•  Libowitzky E, Rossman GR (1996) Principles of quantitative absorbance measurements in anisotropic crystals. Physics and Chemistry of MInerals 23, 39-327

• Libowitzky E, Rossman GR (1997) An IR absorption calbration for water in minerals. American MInerlogist 82, 1111-1115.

• Libowitzky, E. (1999) Correlation of O-H stretching frequencies and O-H···O hydrogen bond lengths in minerals. Monatshefte für Chemie 130, 1047–1059.

• Orlando R, Torres FJ, Pascale F, Ugliengo P Zicocvich-Wilson C, Dovesi R (2006) Vibrational spectrum of katoite Ca₃Al₂[(OH)₄]₃: A periodic ab initio study. Journal of Physical Chemistry B, 110, 692-7012008 .
• Balan - Theoretical IR coefficients of OH - Am Min p950

•  Balan E, Ingrin J, Delattre S, Kovacs I, Glanchard M (2011) Theoretical infrared spectrum of OH-defects in forsterite. European Journal of Mineralogy 23, 285-292.

• Spiekermann G, Stelle-MacInnis M, Schmidt C, Jahn S (2012)  Vibrational mode frequencies of silica species in SiO₂-H₂O liquids and glasses from ab initio molecular dynamics Journal of Chemical Physics 136, 154501.
• Zhang F, Wight K (2012) Coupled (Li⁺, Al³⁺) substitutions in hydrous forsterite. American Mineralogist 97, 425-429.

• Balan E, Blanchard M, Yi HH, Ingrin J (2013) Theoretical study of OH-defects in pure enstatite. Physics and Chemistry of Minerals 40, 41-50. 
• Withers AC (2013) On the use of unpolarized infrared spectroscopy for quantitative. American Mineralogist 98, 689-697.

• Crépisson C, Bureau H, Blanchard M, Ingrin J, Balan E (2014) Theoretical infrared spectrum of partially protonated cationic vacancies in forsterite. European Journal of Mineralogy 2226, 203-210.
• Dudnikova VB, Urusov VS (2014)  Simulation of Forsterite Protonation by the Interatomic Potential Method. Geochemistry International 52, 261-270. [from Geokhimiya 52, 291-301]