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Xuetao Shi
Xuetao Shi
Scientific Data Engineer at Dana-Farber Cancer Institute
Verified email at dfci.harvard.edu
Title
Cited by
Cited by
Year
Ligand Transformations and Efficient Proton/Water Reduction with Cobalt Catalysts Based on Pentadentate Pyridine‐Rich Environments
D Basu, S Mazumder, X Shi, H Baydoun, J Niklas, O Poluektov, ...
Angewandte Chemie International Edition 54 (7), 2105-2110, 2015
732015
Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation
D Basu, S Mazumder, J Niklas, H Baydoun, D Wanniarachchi, X Shi, ...
Chemical Science 7 (5), 3264-3278, 2016
492016
Distinct proton and water reduction behavior with a cobalt (III) electrocatalyst based on pentadentate oximes
D Basu, S Mazumder, X Shi, RJ Staples, HB Schlegel, CN Verani
Angewandte Chemie 127 (24), 7245-7249, 2015
332015
Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling
WK Peters, DE Couch, B Mignolet, X Shi, QL Nguyen, RC Fortenberry, ...
Proceedings of the National Academy of Sciences 114 (52), E11072-E11081, 2017
222017
Experimental and DFT characterization of metal-to-ligand charge-transfer excited states of (rutheniumammine)(monodentate aromatic ligand) chromophores
CN Tsai, YH Tian, X Shi, RL Lord, HB Schlegel, YJ Chen, JF Endicott
Inorganic Chemistry 52 (17), 9774-9790, 2013
212013
Chemical pathways for the formation of benzofuran and dibenzofuran in combustion
X Shi, Q Wang, A Violi
Combustion and Flame 212, 216-233, 2020
202020
Reaction pathways for the formation of five-membered rings onto polyaromatic hydrocarbon framework
X Shi, Q Wang, A Violi
Fuel 283, 119023, 2021
142021
Ellipticity controlled dissociative double ionization of ethane by strong fields
G Basnayake, P Hoerner, B Mignolet, MK Lee, YF Lin, AH Winney, ...
Physical Chemistry Chemical Physics 23 (41), 23537-23543, 2021
92021
Scaling of silicon nanoparticle growth in low temperature flowing plasmas
SJ Lanham, J Polito, X Shi, P Elvati, A Violi, MJ Kushner
Journal of Applied Physics 130 (16), 2021
72021
Controlling chemical reactions by short, intense mid-infrared laser pulses: Comparison of linear and circularly polarized light in simulations of ClCHO+ fragmentation
X Shi, B Thapa, W Li, HB Schlegel
The Journal of Physical Chemistry A 120 (7), 1120-1126, 2016
72016
Controlling the strong field fragmentation of ClCHO+ using two laser pulses –an ab initio molecular dynamics simulation
X Shi, HB Schlegel
Journal of Computational Chemistry 40 (1), 200-205, 2019
62019
Computational simulations of hydrogen circular migration in protonated acetylene induced by circularly polarized light
X Shi, W Li, HB Schlegel
The Journal of Chemical Physics 145 (8), 2016
52016
Chemistry of nitrogen-containing polycyclic aromatic formation under combustion conditions
Q Wang, X Shi, X Zhang, C Shao, SM Sarathy
Combustion and Flame 249, 112629, 2023
32023
On the growth of Si nanoparticles in non-thermal plasma: physisorption to chemisorption conversion
X Shi, P Elvati, A Violi
Journal of Physics D: Applied Physics 54 (36), 365203, 2021
22021
Fragment‐based deep molecular generation using hierarchical chemical graph representation and multi‐resolution graph variational autoencoder
Z Gao, X Wang, B Blumenfeld Gaines, X Shi, J Bi, M Song
Molecular Informatics 42 (5), 2200215, 2023
12023
Hybrid Molecular Dynamics-Machine Learning Approach for Efficient Modeling of Particle Growth in Non-Thermal Plasma
P Elvati, J Saldinger, M Raymond, J Lin, A Violi, X Shi
APS Annual Gaseous Electronics Meeting Abstracts, DR2. 002, 2023
2023
Controlling Composition of Particles Grown in Dusty Plasmas
S Lanham, J Polito, X Shi, P Elvati, A Violi, MJ Kushner
APS Annual Gaseous Electronics Meeting Abstracts, VR4. 004, 2020
2020
Probing the high-excited states dynamics in the methyl azide molecule: A joint experimental-theoretical study
B Mignolet, W Peters, D Couch, R Fortenberry, X Shi, H Schlegel, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Computational Study of Transition Metal Complexes for Solar Energy Conversion and Molecular Interaction with Strong Laser Fields
X Shi
Wayne State University, 2018
2018
Concerted efforts toward new cobalt-based catalysts for proton reduction
D Basu, M Allard, X Shi, MS Mazumder, HB Schlegel, N Bersani
Abstracts of Papers of the American Chemical Society 248, 2014
2014
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Articles 1–20