Molecular modeling of geochemical reactions an introduction - Kubicki, James D. (Wiley, 2016)
Introduction to the Theory and Methods of Computational Chemistry / David M Sherman -- Force Field Application and Development / Marco Molinari, Andrey V Brukhno, Stephen C Parker, Dino Spagnoli -- Quantum-Mechanical Modeling of Minerals / Alessandro Erba, Roberto Dovesi -- First Principles Estimation of Geochemically Important Transition Metal Oxide Properties / Ying Chen, Eric Bylaska, John Weare -- Computational Isotope Geochemistry / James R Rustad -- Organic and Contaminant Geochemistry / Daniel Tunega, Martin H Gerzabek, Georg Haberhauer, Hans Lischka, Adelia J A Aquino -- Petroleum Geochemistry / Qisheng Ma, Yongchun Tang -- Mineral-Water Interaction / Marie-Pierre Gaigeot, Marialore Sulpizi -- Biogeochemistry / Weilong Zhao, Zhijun Xu, Nita Sahai -- Vibrational Spectroscopy of Minerals Through Ab Initio Methods / Marco De La Pierre, Raffaella Demichelis, Roberto Dovesi -- Geochemical Kinetics via Computational Chemistry / James D Kubicki, Kevin M Rosso. - Includes bibliographical references and index