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Dhabih V. Chulhai
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ADF2016, SCM. 2016; Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
892*2016
Intramolecular Insight into Adsorbate–Substrate Interactions via Low-Temperature, Ultrahigh-Vacuum Tip-Enhanced Raman Spectroscopy
JM Klingsporn, N Jiang, EA Pozzi, MD Sonntag, DV Chulhai, T Seideman, ...
Journal of the American Chemical Society 136 (10), 3881-3887, 2014
1552014
Single-molecule imaging using atomistic near-field tip-enhanced Raman spectroscopy
P Liu, DV Chulhai, L Jensen
ACS nano 11 (5), 5094-5102, 2017
1252017
Conformational contrast of surface-mediated molecular switches yields Ångstrom-scale spatial resolution in ultrahigh vacuum tip-enhanced Raman spectroscopy
N Chiang, X Chen, G Goubert, DV Chulhai, X Chen, EA Pozzi, N Jiang, ...
Nano letters 16 (12), 7774-7778, 2016
1252016
The Origin of Relative Intensity Fluctuations in Single-Molecule Tip-Enhanced Raman Spectroscopy
MD Sonntag, DV Chulhai, T Seideman, L Jensen, RP Van Duyne
Journal of the American Chemical Society 135 (45), 17187-17192, 2013
1172013
Molecular-Resolution Interrogation of a Porphyrin Monolayer by Ultrahigh Vacuum Tip-Enhanced Raman and Fluorescence Spectroscopy
N Chiang, N Jiang, DV Chulhai, EA Pozzi, MC Hersam, L Jensen, ...
Nano letters 15 (6), 4114--4120, 2015
1032015
Projection-Based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems
DV Chulhai, JD Goodpaster
Journal of Chemical Theory and Computation 14 (4), 1928-1942, 2018
1012018
Determining Molecular Orientation with Surface-Enhanced Raman Scattering Using Inhomogenous Electric Fields
DV Chulhai, L Jensen
The Journal of Physical Chemistry C 117 (38), 19622-19631, 2013
992013
Tip-Enhanced Raman Voltammetry: Coverage Dependence and Quantitative Modeling
M Mattei, G Kang, G Goubert, DV Chulhai, GC Schatz, L Jensen, ...
Nano Letters 17 (1), 590-596, 2017
902017
Theory of Linear and Nonlinear Surface-Enhanced Vibrational Spectroscopy
DV Chulhai, Z Hu, JE Moore, X Chen, L Jensen
Annual Review of Physical Chemistry 67 (1), 541-564, 2016
662016
Absolutely Localized Projection-Based Embedding for Excited States
X Wen, DS Graham, DV Chulhai, JD Goodpaster
Journal of Chemical Theory and Computation, 2019
652019
Improved Accuracy and Efficiency in Quantum Embedding through Absolute Localization
DV Chulhai, JD Goodpaster
Journal of Chemical Theory and Computation 13 (4), 1503-1508, 2017
622017
Toward monitoring electrochemical reactions with dual-wavelength SERS: Characterization of rhodamine 6G (R6G) neutral radical species and covalent tethering of R6G to silver …
S Zaleski, MF Cardinal, DV Chulhai, AJ Wilson, KA Willets, L Jensen, ...
The Journal of Physical Chemistry C 120 (43), 24982-24991, 2016
442016
Simulating ensemble-averaged surface-enhanced Raman scattering
DV Chulhai, X Chen, L Jensen
The Journal of Physical Chemistry C 120 (37), 20833-20842, 2016
412016
External Orthogonality in Subsystem Time-Dependent Density Functional Theory
DV Chulhai, L Jensen
Physical Chemistry Chemical Physics 18, 21032-21039, 2016
412016
Frozen Density Embedding with External Orthogonality in Delocalized Covalent Systems
DV Chulhai, L Jensen
Journal of Chemical Theory and Computation 11 (7), 3080-3088, 2015
362015
Simulating Surface-Enhanced Hyper-Raman Scattering Using Atomistic Electrodynamics-Quantum Mechanical Models
Z Hu, DV Chulhai, L Jensen
Journal of Chemical Theory and Computation 12 (12), 5968-5978, 2016
352016
Simulating Surface-Enhanced Raman Optical Activity Using Atomistic Electrodynamics-Quantum Mechanical Models
DV Chulhai, L Jensen
The Journal of Physical Chemistry A 118 (39), 9069-9079, 2014
332014
Robust, Accurate, and Efficient: Quantum Embedding Using the Huzinaga Level-Shift Projection Operator for Complex Systems
DS Graham, X Wen, DV Chulhai, JD Goodpaster
Journal of Chemical Theory and Computation 16 (4), 2284-2295, 2020
232020
Plasmon-driven C–N bond cleavage across a series of viologen derivatives
JL Brooks, DV Chulhai, Z Yu, JD Goodpaster, RR Frontiera
The Journal of Physical Chemistry C 123 (48), 29306-29313, 2019
162019
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