Publications at Brandeis

1. Hernandez, H. M.; Sun, Q.; Rosati, M.; Gieseking, R. L. M.; Johnson, C. J. "Bonding and Acidity of the Formal Hydride in the Prototypical Au9(PPh3)82+ Nanocluster." Angewandte Chemie International Edition 2023, https://doi.org/10.1002/anie.202307723.

2. Sun, Q.; Gieseking, R. L. M. “Parametrization of the PM7 Semiempirical Quantum Mechanical Method for Silver Nanoclusters.” Journal of Physical Chemistry A 2022, 126, 6558-6569.

3. Gieseking, R. L. M. "Quantum Mechanical Effects in High-Resolution Tip-Enhanced Raman Imaging." Journal of Physical Chemistry C 2022, 126, 11690–11700.

4. Dillon, A. D.; Gieseking, R. L. M. "Evolution of plasmon-like excited states in silver nanowires and nanorods." Journal of Chemical Physics 2022, 156, 074301.

5. Gieseking, R. L. M. "Plasmons: untangling the classical, experimental, and quantum mechanical definitions." Materials Horizons 2022, 9, 25-42.

6. Ceylan, Y. S.; Gieseking, R. L. M. "Hydride- and Halide-Substituted Au9(PH3)83+ Nanoclusters: Similar Absorption Spectra Disguise Distinct Geometries and Electronic Structures." Physical Chemistry Chemical Physics 2021, 23, 17287-17299.

7. Gieseking, R. L. M. “A New Release of MOPAC Incorporating the INDO/S Semiempirical Model with CI Excited States.” Journal of Computational Chemistry 2021, 42, 365-378.

8. Gieseking, R. L. M.*; Ashwell, A. P.; Ratner, M. A.; Schatz, G. C. "Analytical Approaches to Identify Plasmon-Like Excited States in Bare and Ligand-Protected Metal Nanoclusters." Journal of Physical Chemistry C 2020, 124, 3260-3269. *Corresponding author

9. Demirel, G.; Gieseking, R.L.M.; Ozdemir, R.; Kahmann, S.; Loi, M. A.; Schatz, G. C.; Facchetti, A.; Usta, H. "Molecular engineering of organic semiconductors enables noble metal-comparable SERS enhancement and sensitivity." Nature Communications 2019, 10, 5502.

10. Gieseking, R. L. M. "Third-Order Nonlinear Optical Properties of Ag Nanoclusters: Connecting Molecule-Like and Nanoparticle-Like Behavior." Chemistry of Materials 2019, 31, 6850-6859.

Non-Peer-Reviewed Publications

1. Gieseking, R. L. M.; Ramadan, A.; Ryu, J. “Horizons Community Board Collection – Solar Energy Conversion.” Nanoscale Horizons 2021, 6, 839-841.

Prior to Brandeis

1. Mueller, C. M.; Gieseking, R. L. M.; Schatz, G. C. “Modeling Plasmonic Optical Properties Using Semiempirical Electronic Structure Calculations.” Molecular Spectroscopy: A Quantum Chemistry Approach 2019, 575-595. Editors: Yukihiro Ozaki, Marek Januz Wójcik, and Jürgen Popp.

2. Gieseking, R. L. M.; Ratner, M. A.; Schatz, G. C. “Benchmarking Semiempirical Methods to Compute Electrochemical Formal Potentials.” Journal of Physical Chemistry A 2018, 122, 6809–6818.

3. Gieseking, R. L. M.; Lee, J.; Tallarida, N.; Apkarian, V. A.; Schatz, G. C. “Bias-Dependent Chemical Enhancement in TERS of CO-Terminated Ag Tips.” Journal of Physical Chemistry Letters 2018, 9, 3074–3080.

4. Yilmaz, M.; Babur, E.; Özdemir, M.; Gieseking, R. L.; Dede, Y.; Tamer, U.; Schatz, G. C.; Facchetti, A.; Usta, H.; Demirel, G. “Nanostructured Organic Semiconductor Films for Molecular Detection through Surface-Enhanced Raman Spectroscopy.” Nature Materials 2017, 16, 918-924. Featured in News and Views: Lombardi, J. R. “Raman spectroscopy: Enhanced by organic surfaces.” Nature Materials  2017, 16, 878-880.

5. Gieseking, R. L.; Ratner, M. A.; Schatz, G. C. “Theoretical Modeling of Voltage Effects and the Chemical Mechanism in Surface-Enhanced Raman Scattering.” Faraday Discussions 2017, 205, 149-171.

6. Shiring, S. B.; Gieseking, R. L.; Risko, C.; Brédas, J. L. “Assessment of Front-Substituted Zwitterionic Cyanine Polymethines for All-Optical Switching Applications.” Journal of Physical Chemistry C. 2017, 121, 14166-14175.

7. Gieseking, R. L.; Ratner, M. A.; Schatz, G. C. “Semiempirical Modeling of Electrochemical Charge Transfer.” Faraday Discussions 2017, 199, 547-563.

8. Gieseking, R. L.; Ratner, M. A.; Schatz, G. C. “Implementation of INDO/SCI with COSMO implicit solvation and benchmarking for solvatochromic shifts.” Journal of Physical Chemistry A 2016, 120, 9878-9885.

9. Gieseking, R. L.; Ratner, M. A.; Schatz, G. C. “Quantum Mechanical Identification of Quadrupolar Plasmonic Excited States in Silver Nanorods.” Journal of Physical Chemistry A 2016, 120, 9324-9329.

10. Gieseking, R. L.; Ratner, M. A.; Schatz, G. C. “Review of plasmon-induced hot-electron dynamics and related SERS chemical effects.” Frontiers of Plasmon Enhanced Spectroscopy Volume 1 2016, ACS Symposium Series 1245, 1-22. Editors: Yukihiro Ozaki, George C. Schatz, Duncan Graham, and Tamitake Itoh. (Cover Article)

11. Knippenberg, S.; Gieseking, R. L.; Rehn, D. R.; Mukhopadhyay, S.; Dreuw, A.; Brédas, J. L. “Benchmarking Post-Hartree Fock Methods to Describe the Nonlinear Optical Properties of Polymethines: An investigation of the accuracy of Algebraic Diagrammatic Construction (ADC) approaches.” Journal of Chemical Theory and Computation  2016, 12, 5465-5476.

12. Gieseking, R. L.; Ratner, M. A.; Schatz, G. C. “Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation.” Journal of Physical Chemistry A 2016, 120, 4542-4549. (ACS Editor’s Choice)

13. Gieseking, R. L.; Ravva, M. K.; Coropceanu, V.; Brédas, J. L. “Benchmarking Density Functional Theory Approaches for the Description of Symmetry-Breaking in Long Polymethine Dyes.” Journal of Physical Chemistry C 2016, 120, 9975-9984.

14. Gieseking, R. L.; Ensley, T. R.; Hu, H.; Hagan, D. J.; Risko, C.; Van Stryland, E. W.; Brédas, J. L. “Nonlinear Optical Properties of XPh4 (X = B-, C, N+, P+): A New Class of Molecules with a Negative Third-Order Polarizability.” Journal of the American Chemical Society  2015, 137, 9635-9642.

15. Gieseking, R. L.; Risko, C.; Brédas, J. L. “Distinguishing the Effects of Bond-Length Alternation vs. Bond-Order Alternation on the Nonlinear Optical Properties of π-Conjugated Chromophores.” Journal of Physical Chemistry Letters 2015, 6, 2158-2162.

16. Gieseking, R. L.; Mukhopadhyay, S.; Risko, C.; Marder, S. R.; Brédas, J. L. “Effect of Bulky Substituents on Thiopyrylium Polymethine Aggregation in the Solid State: A Theoretical Evaluation of the Implications for All-Optical Switching Applications.” Chemistry of Materials 2014, 26, 6439-6447.

17. Gieseking, R. L.; Mukhopadhyay, S.; Shiring, S. B.; Risko, C.; Brédas, J. L. “Impact of Bulk Aggregation on the Electronic Structure of Streptocyanines: Implications for the Solid-State Nonlinear Optical Properties and All-Optical Switching Applications.” Journal of Physical Chemistry C 2014, 118, 23575-23585.

18. Barlow, S.; Brédas, J. L.; Getmanenko, Y. A.; Gieseking, R. L.; Hales, J. M.; Kim, H.; Marder, S. R.; Norwood, R. A.; Perry, J W.; Risko, C.; Zhang, Y. “Polymethine Materials with Solid-State Third-Order Optical Susceptibilities Suitable for All-Optical Signal-Processing Applications.” Materials Horizons 2014, 1, 577-581. (Cover Article)

19. Gieseking, R. L.; Mukhopadhyay, S.; Risko, C.; Brédas, J. L. “Impact of the Nature of the Excited-State Transition Dipole Moments on the Third-Order Nonlinear Optical Response of Polymethine Dyes for All-Optical Switching Applications.” ACS Photonics 2014, 1, 261-269.

20. Gieseking, R. L.; Mukhopadhyay, S.; Risko, C.; Brédas, J. L. “Design of Polymethine Dyes for All-Optical Switching Applications: Guidance from Theoretical and Computational Studies.” Advanced Materials 2014, 26, 68-84.

21. Arman, H. D.; Gieseking, R. L.; Hanks, T. W.; Pennington, W. T. “Complementary Halogen and Hydrogen Bonding: Sulfur···Iodine Interactions and Thioamide Ribbons.” Chemical Communications 2010, 46, 1854-1856.

Non-Peer-Reviewed Publications prior to Brandeis

1. Gieseking, R. L.; Risko, C.; Marder, S. R.; Brédas, J. L. “Understanding the relationships among molecular structure, excited-state properties, and polarizabilities of π-conjugated chromophores.” The WSPC Reference on Organic Electronics: Organic Semiconductors 2016, vol. 1, 393-420. Editors: Jean-Luc Brédas and Seth Marder.

2. Tsang, J. S.; Jentsch, E.; Gieseking, R.; Seeger, A. “Preserving Modern Marvels.” Journées d’etudes de la SFIIC, 2009, 125-130.

Invited Presentations

2021     Boston University, Boston, Massachusetts.

2021     Theory and Simulation of Electronic and Optical Processes in Molecules and Materials. Virtual Seminar Series.

2020    Photochemistry Spotlight: Shining Light on the Big Questions in Photochemistry, Virtual Symposium

2020    Merrimack College, North Andover, Massachusetts

2019     Rhode Island College, Providence, Rhode Island

2019     American Chemical Society Fall National Meeting, San Diego, California

2019     Nonequilibrium Phenomena, Nonadiabatic Dynamics and Spectroscopy, Telluride Science Research Center, Telluride, Colorado

2018     Bridgewater State University, Bridgewater, Massachusetts

2018     University of Massachusetts Dartmouth, North Dartmouth, Massachusetts

2018     Clark University, Worcester, Massachusetts