Sharon Hammes-Schiffer

University of Illinois at Urbana-Champaign

Chemistry

2016

Puja Goyal, Christine A. Schwerdtfeger, Alexander V. Soudackov, and Sharon Hammes-Schiffer (2016): Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex, The Journal of Physical Chemistry B, American Chemical Society (ACS), Vol 120, Num 9, pp2407--2417
Tanner Culpitt, Kurt R. Brorsen, Michael V. Pak, and Sharon Hammes-Schiffer (2016): Multicomponent Density Functional Theory Embedding Formulation, The Journal of Chemical Physics, AIP Publishing, Vol 145, Num 4, pp044106

2015

Andrew Sirjoosingh, Michael V. Pak, Kurt R. Brorsen, and Sharon Hammes-Schiffer (2015): Quantum Treatment of Protons with the Reduced Explicitly Correlated Hartree-Fock Approach, The Journal of Chemical Physics, AIP Publishing, Vol 142, Num 21, pp214107
Kurt R. Brorsen, Andrew Sirjoosingh, Michael V. Pak, and Sharon Hammes-Schiffer (2015): Nuclear-Electronic Orbital Reduced Explicitly Correlated Hartree-Fock Approach: Restricted Basis Sets and Open-Shell Systems, The Journal of Chemical Physics, AIP Publishing, Vol 142, Num 21, pp214108
Puja Goyal, Christine A. Schwerdtfeger, Alexander V. Soudackov, and Sharon Hammes-Schiffer (2015): Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex, The Journal of Physical Chemistry B, American Chemical Society (ACS), Vol 119, Num 6, pp2758--2768

2014

Andrew Sirjoosingh and Sharon Hammes-Schiffer (2014): Development of Non-Born-Oppenheimer Electronic Structure Methods for the Quantum Treatment of Protons, presented at 2014 American Conference on Theoretical Chemistry (ACTC 2014), Telluride, Colorado, U.S.A.
Sharon Hammes-Schiffer (2014): Presentation: Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer Processes, Invited talk: American Chemical Society National Meeting, San Francisco, CA
Sharon Hammes-Schiffer (2014): Presentation: Proton-Coupled Electron Transfer in Catalysis and Energy Conversion, Invited talk: Distinguished Lecture in Theoretical and Computational Chemistry, University of California at San Diego, San Diego, CA
Sharon Hammes-Schiffer (2014): Presentation: Proton-Coupled Electron Transfer in Catalysis and Energy Conversion (Illinois), Colloquium, Northwestern University, Evanston, IL
Sharon Hammes-Schiffer (2014): Presentation: Proton-Coupled Electron Transfer in Catalysis and Energy Conversion (Oslo), Plenary talk: Promoting Female Excellence in Theoretical and Computational Chemistry II, Oslo, Norway
Sharon Hammes-Schiffer (2014): Presentation: Proton-Coupled Electron Transfer in Catalysis and Energy Conversion (Rochester), Invited talk: Colloquium, University of Rochester
Sharon Hammes-Schiffer (2014): Presentation: Proton-Coupled Electron Transfer in Energy Conversion Processes, Invited talk: Haines Lecture, University of South Dakota
Sharon Hammes-Schiffer (2014): Presentation: Theoretical Perspectives of Proton-Coupled Electron Transfer and Applications to Catalysis, Invited talk: PCET 2014: Second International Conference on Proton-Coupled Electron Transfer, Uppsala, Sweden
Sharon Hammes-Schiffer (2014): Presentation: Theoretical Perspectives of Proton-Coupled Electron Transfer and Applications to Catalysis (Colorado), Invited talk: American Conference of Theoretical Chemistry, Telluride, CO
Sharon Hammes-Schiffer (2014): Presentation: Theoretical Perspectives of Proton-Coupled Electron Transfer and Applications to Catalysis (Rome), Invited talk: International Conference on Hydrogen Atom Transfer, Rome, Italy
Sharon Hammes-Schiffer (2014): Theoretical Perspectives on Proton-Coupled Electron Transfer and Applications to Catalysis, Invited Talk. Poster. American Conference on Theoretical Chemistry