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 | 73 | 2015 |
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 | 49 | 2016 |
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 | 33 | 2015 |
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 | 22 | 2017 |
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 | 21 | 2013 |
Chemical pathways for the formation of benzofuran and dibenzofuran in combustion X Shi, Q Wang, A Violi Combustion and Flame 212, 216-233, 2020 | 20 | 2020 |
Reaction pathways for the formation of five-membered rings onto polyaromatic hydrocarbon framework X Shi, Q Wang, A Violi Fuel 283, 119023, 2021 | 14 | 2021 |
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 | 9 | 2021 |
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 | 7 | 2021 |
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 | 7 | 2016 |
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 | 6 | 2019 |
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 | 5 | 2016 |
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 | 3 | 2023 |
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 | 2 | 2021 |
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 | 1 | 2023 |
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 |