Book Chapters

B9. D. Dubbeldam, S. Calero, T.J.H. Vlugt, R.Q. Snurr, “Molecular Simulations of Adsorption and Diffusion in Crystalline Nanoporous Materials,” in Handbook of Porous Materials, Vol. 2, edited by G. Rothenberg, World Scientific, Singapore, 2021; pp. 199-319.

B8. R.Q. Snurr, C.S. Adjiman, D.A. Kofke, editors, Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS 2015, Springer, Singapore, 2016.

B7. C.E. Wilmer, R.Q. Snurr, Large-scale generation and screening of hypothetical metal-organic frameworks for applications in gas storage and separations, in Prediction and Calculation of Cryst al Structures: Methods and Applications, edited by S. Atahan-Evrenk and A. Aspuru-Guzik, Springer, Heidelberg, 2014; pp. 257-289.

B6. R.R. Willis, A. Benin, R.Q. Snurr, O. Yazaydin, “Nanotechnology for carbon dioxide capture,” in Nanotechnology for the Energy Challenge, edited by J. Garcia-Martinez, Wiley-VCH, 2010; pp. 359-401.

B5. R.Q. Snurr, A.O. Yazaydin, D. Dubbeldam, H. Frost, “Molecular modeling of adsorption and diffusion in metal-organic frameworks,” in Metal-Organic Frameworks: Design and Application, edited by L.R. MacGillivray, John Wiley & Sons, Hoboken, NJ, 2010; pp. 313-339.

B4. M.C. Curet-Arana, R.Q. Snurr, L.J. Broadbelt, “Quantum chemical analysis of the reaction pathway for styrene epoxidation catalyzed by Mn-porphyrins,” in Mechanisms in Homogeneous and Heterogeneous Epoxidation Catalysis, edited by S.T. Oyama, Elsevier, Amsterdam, 2008; pp. 471-486.

B3. S.A. McMillan, L.J. Broadbelt, R.Q. Snurr, “Theoretical modeling of zeolite catalysis: nitrogen oxide catalysis over metal-exchanged zeolites,” in Environmental Catalysis, edited by V.H. Grassian, Taylor & Francis, Boca Raton, 2005; pp. 287-306.

B2. L. Sarkisov, K.F. Czaplewski, R.Q. Snurr, “The role of diffusion in applications of novel nanoporous materials and in novel uses of traditional materials,” in Fluid Transport in Nanoporous Materials,” edited by W.C. Conner J. Fraissard, Springer, Dordrecht, 2006; pp. 69-91.

B1. D.N. Theodorou, R.Q. Snurr, A.T. Bell, “Molecular dynamics and diffusion in microporous materials,” in Comprehensive Supramolecular Chemistry, Vol. 7, edited by T. Bein, Pergamon Press, Oxford, 1996; pp. 507-548.