Concepedia

Caitlin C. Bannan

CC

15

Publications

1K

Citations

13

H-Index

2013

Active since

Affiliations

University of California, Irvine(Current)

University of Colorado Boulder

Memorial Sloan Kettering Cancer Center

Tri-Institutional PhD Program in Chemical Biology

University of California San Diego

Caitlin C. Bannan is an author at University of California, Irvine specializing in engineering, natural sciences, and computational chemistry.

ORCID

Top concepts

Publications per year

2013–2021

15

Publications

15

Escaping Atom Types in Force Fields Using Direct Chemical Perception

David L. Mobley, Caitlin C. Bannan, Andrea Rizzi et al. · Journal of Chemical Theory and Computation · 2018 · 222 citations

Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water

Caitlin C. Bannan, Gaetano Calabrò, Daisy Y. Kyu et al. · Journal of Chemical Theory and Computation · 2016 · 195 citations · Full text

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Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field

Yudong Qiu, Daniel G. A. Smith, Simon Boothroyd et al. · Journal of Chemical Theory and Computation · 2021 · 163 citations · Full text

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Blind prediction of cyclohexane–water distribution coefficients from the SAMPL5 challenge

Caitlin C. Bannan, Kalistyn H. Burley, Michael Chiu et al. · Journal of Computer-Aided Molecular Design · 2016 · 126 citations · Full text

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Simulating Ru L<sub>3</sub>-Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

Benjamin E. Van Kuiken, Marat Valiev, Stephanie L. Daifuku et al. · The Journal of Physical Chemistry A · 2013 · 65 citations · Full text

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