PUBLICATIONS

25. Jeonghee Kang, Dhabih Chulhai, Ruel Desamero, Adam Profit, and Jong I. Lee

Revisiting the basis of the excited states for solvated fluorinated benzenes and pentafluorophenylalanine

Results in Chemistry 2023, 5, 100770.

24. Dhabih V. Chulhai

Quantum Particle-in-a-Sandbox: A video game that explores the time-dependent wave function for any arbitrary one-dimensional potential

ChemRxiv 2022, DOI: 10.26434/chemrxiv-2022-7fkzw.

23. Daniel S. Graham, Xuelan Wen, Dhabih V. Chulhai, and Jason D. Goodpaster

Huzinaga projection embedding for efficientand accurate energies of systems with localizedspin-densities

J. Chem. Phys. 2022, 156, 054112.

22. James L. Brooks, Christopher L. Warkentin, Dhabih V. Chulhai, Jason D. Goodpaster, and Renee R. Frontiera

Plasmon-Mediated Intramolecular Methyl Migration with Nanoscale Spatial Control

ACS Nano 2020, 14, 17194.

21. Daniel S. Graham, Xuelan Wen, Dhabih V. Chulhai, and Jason D. Goodpaster

Robust, Accurate, and Efficient: Quantum Embedding Using the Huzinaga Level-Shift Projection Operator for Complex Systems

J. Chem. Theory Comput 2020, 16, 2284.

20. Xuelan Wen, Daniel S. Graham, Dhabih V. Chulhai, and Jason D. Goodpaster

Absolutely Localized Projection-Based Embedding for Excited States

J. Chem. Theory Comput 2020, 16, 385.

19. James Brooks, Dhabih V. Chulhai, Ziwei Yu, Jason D. Goodpaster, and Renee R Frontiera

Plasmon-Driven C-N Bond Cleavage Across a Series of Viologen Derivatives

J. Phys. Chem. C 2019, 123, 29306.

18. Pengchong Liu, Dhabih V. Chulhai, and Lasse Jensen

Atomistic Characterization of Plasmonic Dimers in the Quantum Size Regime

J. Phys. Chem. C 2019, 123, 13900.

17. Dhabih V. Chulhai and Jason D. Goodpaster

Projection-Based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems

J. Chem. Theory Comput. 2018, 14, 1928.

16. Pengchong Liu, Dhabih V. Chulhai, and Lasse Jensen

Single-Molecule Imaging Using Atomistic Near-Field Tip-Enhanced Raman Spectroscopy

ACS Nano 2017, 11, 5094.

15. Dhabih V. Chulhai and Jason D. Goodpaster

Improved Accuracy and Efficiency in Quantum Embedding through Absolute Localization

J. Chem. Theory Comput. 2017, 13, 1503.

14. Michael Mattei, Gyeongwon Kang, Guillaume Goubert, Dhabih V. Chulhai, George C. Schatz, Lasse Jensen, and Richard P. Van Duyne

Tip-Enhanced Raman Voltammetry: Coverage Dependence and Quantitative Modeling

Nano Lett. 2017, 17, 590.

13. Naihao Chiang, Xing Chen, Guillaume Goubert, Dhabih V. Chulhai, Xu Chen, Eric A. Pozzi, Nan Jiang, Mark C. Hersam, Tamar Seideman, Lasse Jensen, and Richard P. Van Duyne

Conformational Contrast of Surface-Mediated Molecular Switches Yields Ångstrom-Scale Spatial Resolution in Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy

Nano Lett. 2016, 16, 7774.

12. Zhongwei Hu, Dhabih V. Chulhai and Lasse Jensen

Simulating Surface-Enhanced Hyper-Raman Scattering Using Atomistic Electrodynamics-Quantum Mechanical Models

J. Chem. Theory Comput. 2016, 12, 5968.

11. Stephanie Zaleski, M. Fernanda Cardinal, Dhabih V. Chulhai, Andrew J. Wilson, Katherine A. Willets, Lasse Jensen, and Richard P. Van Duyne

Toward Monitoring Electrochemical Reactions with Dual-Wavelength SERS: Characterization of Rhodamine 6G (R6G) Neutral Radical Species and Covalent Tethering of R6G to Silver Nanoparticles

J. Phys. Chem. C 2016, 120, 24982.

10. Dhabih V. Chulhai and Lasse Jensen

External orthogonality in subsystem time-dependent density functional theory

Phys. Chem. Chem. Phys. 2016, 18, 21032.

9. Dhabih V. Chulhai, Zhongwei Hu, Justin E. Moore, Xing Chen, and Lasse Jensen

Theory of Linear and Nonlinear Surface-Enhanced Vibrational Spectroscopies

Annu. Rev. Phys. Chem. 2016, 67, 541.

8. Dhabih V. Chulhai, Xing Chen, and Lasse Jensen

Simulating Ensemble-Averaged Surface-Enhanced Raman Scattering

J. Phys. Chem. C 2016, 120, 20833.

7. Dhabih V. Chulhai and Lasse Jensen

Frozen Density Embedding with External Orthogonality in Delocalized Covalent Systems

J. Chem. Theory Comput. 2015, 11, 3080.

6. Naihao Chiang, Nan Jiang, Dhabih V. Chulhai, Eric A. Pozzi, Mark C. Hersam, Lasse Jensen, Tamar Seideman, and Richard P. Van Duyne

Molecular-Resolution Interrogation of a Porphyrin Monolayer by Ultrahigh Vacuum Tip-Enhanced Raman and Fluorescence Spectroscopy

Nano Lett. 2015, 15, 4114.

5. Dhabih V. Chulhai and Lasse Jensen

Plasmonic Circular Dichroism of 310- and α-Helix Using a Discrete Interaction Model/Quantum Mechanics Method

J. Phys. Chem. A 2015, 119, 5218.

4. Dhabih V. Chulhai and Lasse Jensen

Simulating Surface-Enhanced Raman Optical Activity Using Atomistic Electrodynamics-Quantum Mechanical Models

J. Phys. Chem. A 2014, 118, 9069.

3. Jordan M. Klingsporn, Nan Jiang, Eric A. Pozzi, Matthew D. Sonntag, Dhabih Chulhai, Tamar Seideman, Lasse Jensen, Mark C. Hersam, and Richard P. Van Duyne

Intramolecular Insight into Adsorbate–Substrate Interactions via Low-Temperature, Ultrahigh-Vacuum Tip-Enhanced Raman Spectroscopy

J. Am. Chem. Soc. 2014, 136, 3881.

2. Matthew D. Sonntag, Dhabih Chulhai, Tamar Seideman, Lasse Jensen, and Richard P. Van Duyne

The Origin of Relative Intensity Fluctuations in Single Molecule Tip-Enhanced Raman Spectroscopy

J. Am. Chem. Soc. 2013, 135, 17187.

1. Dhabih V. Chulhai and Lasse Jensen

Determining Molecular Orientation With Surface-Enhanced Raman Scattering Using Inhomogenous Electric Fields

J. Phys. Chem. C 2013, 117, 19622.