Caroline M. Krauter

Schrodinger (United States) — United States

Physics and Astronomy · Physical Sciences

18h-index6.3kcitations29works3.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(8), Advanced Chemical Physics Studies(7), Photochemistry and Electron Transfer Studies(5), Gold and Silver Nanoparticles Synthesis and Applications(4), Asymmetric Synthesis and Catalysis(3)

Publications29 total

Nanoscale Simulation of Plastic Contaminants Migration in Packaging Materials and Potential Leaching into Model Food Fluids
Langmuir·2024· 7 cited
Nanoscale analysis of plastic contaminants migration in packaging materials and potential leaching into model food systems
2024· 1 citedOpen Access
Nanoscale analysis of plastic contaminants migration in packaging materials and potential leeching into model food systems
2024· 1 citedOpen Access
Molecular-Scale Exploration of Mechanical Properties and Interactions of Poly(lactic acid) with Cellulose and Chitin
ACS Omega·2023· 11 citedOpen Access
Molecular-scale exploration of mechanical properties and interactions of poly(lactic acid) with cellulose and chitin
2022Open Access
Molecular-Level Examination of Amorphous Solid Dispersion Dissolution
Molecular Pharmaceutics·2021· 18 cited
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
The Journal of Chemical Physics·2021· 1.3k citedOpen Access
Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer
CaltechAUTHORS (California Institute of Technology)·2019
Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer
Nature Communications·2018· 72 citedOpen Access
Density and Potential Functional Embedding: Theory and Practice
2017· 40 cited
Atomistic Simulations of Lithium Ion Mobility in Battery Electrolytes
ECS Meeting Abstracts·2017
How To Identify Plasmons from the Optical Response of Nanostructures
ACS Nano·2017· 99 citedOpen Access
Algebraic diagrammatic construction for the polarization propagator with spin-orbit coupling
Chemical Physics·2016· 12 cited
Heterometallic antenna−reactor complexes for photocatalysis
Proceedings of the National Academy of Sciences·2016· 507 citedOpen Access
Aluminum Nanocrystals as a Plasmonic Photocatalyst for Hydrogen Dissociation
Nano Letters·2016· 351 cited
Corrigendum to: Plasmon-Driven Dissociation of H<sub>2</sub> on Gold Nanoclusters
Zeitschrift für Physikalische Chemie·2015· 9 cited
Density Fitting and Cholesky Decomposition of the Two-Electron Integrals in Local Multireference Configuration Interaction Theory
Journal of Chemical Theory and Computation·2015· 19 cited
Identification of Plasmons in Molecules with Scaled Ab Initio Approaches
The Journal of Physical Chemistry C·2015· 41 cited
Ab Initio Kinetics of Hydrogen Abstraction from Methyl Acetate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals
The Journal of Physical Chemistry A·2015· 53 citedOpen Access
Plasmons in molecules: Microscopic characterization based on orbital transitions and momentum conservation
The Journal of Chemical Physics·2014· 38 cited
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Frequent Co-authors

Emily A. Carter(9), Andrea Browning(7), Jeffrey M. Sanders(6), Mathew D. Halls(6), Andreas Dreuw(5), Markus Pernpointner(5), Paulo G. M. Mileo(5), Evgeny Epifanovsky(3), Dirk R. Rehn(3), John Mark P. Martirez(3), Peter Nordlander(3), Benjamin J. Coscia(3), Zhengting Gan(2), Andrew T. B. Gilbert(2), Michael Wormit(2), Jörg Kußmann(2), Adrian W. Lange(2), Andrew Behn(2), Jia Deng(2), Xintian Feng(2)