September 1, 2002
Journal Article

Ab initio Quantum Mechanical Modeling of Infrared Vibrational Frequencies of the OH Group in Dioctahedral Phyllosilicates. Part II: Main Physical Factors Governing the OH Vibrations

Abstract

Ab initio quantum mechanical modeling of infrared vibrational frequencies of the OH group in dioctahedral phyllosilicates. Part II: Main physical factors governing the OH vibrations

Revised: November 20, 2003 | Published: September 1, 2002

Citation

Martinez Alonso S., J.R. Rustad, and A. Goetz. 2002. Ab initio Quantum Mechanical Modeling of Infrared Vibrational Frequencies of the OH Group in Dioctahedral Phyllosilicates. Part II: Main Physical Factors Governing the OH Vibrations. The American Mineralogist 87, no. 8-9:1224-1234. PNNL-SA-37304.