“Cobalt Silylenes as Platforms for Catalytic Nitrene-Group Transfer by Metal–Ligand Cooperation”.Angew. Chem. Int., 61 (2022). Whited, M. T.; Han, W.; Jin-Lee, H.; Dinardo, Z.; Watson, E; Zhang, J; Kohen D. https://doi.org/10.1002/anie.202205748

“Bimetallic, Silylene-Mediated Multielectron Reductions of Carbon Dioxide and Ethylene”. Angew. Chem. Int., 60, 1615 (2021). Whited, M. T.; Zhang, J.; Conley A. M.; Ma S.; Janzen D. E.; Kohen D.

“Molecular Insight into CO2 “Trapdoor” Adsorption in Zeolite Na-RHO.” Chemistry of Materials, 29, 2724 (2017). François-Xavier Coudert and Daniela Kohen.

“Theoretical Mechanistic Study of the Asymmetric Desymmetrization of a Cyclic meso-Anhydride by a Bifunctional Quinine Sulfonamide Organocatalyst.” J. Org. Chem., 82, 1347 (2017). Katie BliseMilan W. CvitkovicNolly J. GibbsSean F. RobertsReid M. WhitakerGretchen E. Hofmeister, and Daniela Kohen.

“Computational Chemistry Methods for Nanoporous Materials.” Chemistry of Materials, 29, 199 (2016). Jack D EvansGuillaume FrauxRomain GaillacDaniela KohenFabien TrousseletJean-Mathieu Vanson, and François-Xavier Coudert.

“Atomistic Simulations of CO2 during “Trapdoor” Adsorption onto Na-Rho Zeolite”. Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS 2015; Springer: 2015, 153. N. Bamberger, D. Kohen.

A computational study of the adsorption of n-perfluorohexane in zeolite BCR-704.” Fluid Phase Equil., 366, 146 (2014). P. Bai, P. Ghosh, J. Sung, D. Kohen, J.I. Siepmann, and R.Q. Snurr.

“Development of a Regional Computational Chemistry Consortium Centered around Undergraduate Research Conferences.”, CUR Quarterly 2012, 329 (2012). Keith T. Kuwata, Daniela Kohen, Brent P. Krueger, and William F. Polik.

“Atomistic Simulations of CO2 and N2 within Cage Type Silica Zeolites.” Langmuir, 27, 1954 (2011).  Lindsey Madison, Henry Heitzer, Colin Russell and Daniela Kohen. (This paper was showcased as a paper of the week by the ACS web portal)

“Atomistic Simulations of CO2 and N2 Diffusion in Silica Zeolites: The Impact of Pore Size and Shape.” J. Phys. Chem. C, 112, 16521 (2008).  David Selassie, Disan Davis, Jayme Dahlin, Eric Feise, David S. Sholl and Daniela Kohen.

“Atomistic Simulations of CO2 and N2 adsorption in Silica Zeolites: The impact of pore size and shape.” J. Phys. Chem. B, 106, 8367 (2002).  A. Goj, D. S. Sholl, E. D. Akten and D. Kohen.

“The manipulation of massive ro-vibronic superpositions using time-frequency-resolved coherent anti-Stokes Raman scattering (TFRCARS):  from quantum coherence to quantum computing.”  Chem. Phys., 266, 323 (2001).  R. Zadoyan, D. Kohen and V. A. Apkarian.

“Simulation of nonadiabatic wavepacket interferometry using classical trajectories.”  J. Chem. Phys., 112, 7345 (2000).  A. Donoso, D. Kohen and C. C. Martens.

“Diversity in liquid supercooling and glass formation phenomena illustrated by a simple model.”  Physical Review E 61, 1176 (2000).  D. Kohen and F. H. Stillinger.

“Phase space approach to dissipative molecular dynamics.”  Advances in Chemical Physics 111, 219 (2000).  D. Kohen and D. J. Tannor.

“Nanoscale shock wave spectroscopy: a direct view of coherent ultrafast bath dynamics.”  J. Phys. Chem., 111, 4343 (1999).  D. Kohen and C. C. Martens.

“Model studies of non-adiabatic dynamics.”  J. Chem. Phys., 109, 4713 (1998).  D. Kohen, F. H. Stillinger and J. C. Tully.

“Modeling the interactions of hydrogen with silicon surfaces.”  Surface Science, 397, 225 (1998).  D. Kohen, J. C. Tully and F. H. Stillinger.

“Classical-quantum correspondence in the Redfield equation and its solutions.”  J. Chem. Phys., 107, 5141 (1997).  D. Kohen and D. J. Tannor.

“Phase space approach to theories of quantum dissipation.”  J. Chem. Phys., 107, 5236 (1997).  D. Kohen, C. C. Marston and D. J. Tannor.

“Phase space distribution function formulation of the method of reactive flux: memory friction.”  J. Chem. Phys. 103, 6013 (1995).  D. Kohen and D. J. Tannor.

“Derivation of Kramers’ formula for condensed phase reaction rates using the method of reactive flux.”  J. Chem. Phys. 100, 4932 (1994).  D. Kohen and D. J. Tannor.

“Quantum adiabatic switching.”  J. Chem. Phys. 98, 3168 (1993).  D. Kohen and D. J. Tannor.