| Encoding of vinylidene isomerization in its anion photoelectron spectrum JA DeVine, ML Weichman, B Laws, J Chang, MC Babin, G Balerdi, C Xie, ... Science 358 (6361), 336-339, 2017 | 64 | 2017 |
| Up to a sign. The insidious effects of energetically inaccessible conical intersections on unimolecular reactions C Xie, CL Malbon, H Guo, DR Yarkony Accounts of chemical research 52 (2), 501-509, 2019 | 48 | 2019 |
| Signatures of a conical intersection in adiabatic dissociation on the ground electronic state C Xie, CL Malbon, DR Yarkony, D Xie, H Guo Journal of the American Chemical Society 140 (6), 1986-1989, 2018 | 46 | 2018 |
| An improved quasi-diabatic representation of the 1, 2, 31A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates X Zhu, CL Malbon, DR Yarkony The Journal of Chemical Physics 144 (12), 2016 | 43 | 2016 |
| On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data CL Malbon, X Zhu, H Guo, DR Yarkony The Journal of Chemical Physics 145 (23), 2016 | 28 | 2016 |
| Insights into the mechanism of nonadiabatic photodissociation from product vibrational distributions. The remarkable case of phenol C Xie, B Zhao, CL Malbon, DR Yarkony, D Xie, H Guo The Journal of Physical Chemistry Letters 11 (1), 191-198, 2019 | 27 | 2019 |
| Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems C Xie, CL Malbon, DR Yarkony, H Guo The Journal of Chemical Physics 147 (4), 2017 | 27 | 2017 |
| Multistate, multichannel coupled diabatic state representations of adiabatic states coupled by conical intersections. CH2OH photodissociation CL Malbon, DR Yarkony The Journal of Chemical Physics 146 (13), 2017 | 23 | 2017 |
| Full-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(A2Σ+) by H2 B Zhao, S Han, CL Malbon, U Manthe, DR Yarkony, H Guo Nature chemistry 13 (9), 909-915, 2021 | 20 | 2021 |
| On the nonadiabatic collisional quenching of OH (A) by H 2: a four coupled quasi-diabatic state description CL Malbon, B Zhao, H Guo, DR Yarkony Physical Chemistry Chemical Physics 22 (24), 13516-13527, 2020 | 19 | 2020 |
| Diabatic and adiabatic representations: Electronic structure caveats DR Yarkony, C Xie, X Zhu, Y Wang, CL Malbon, H Guo Computational and Theoretical Chemistry 1152, 41-52, 2019 | 19 | 2019 |
| Nonadiabatic Photodissociation of the Hydroxymethyl Radical from the 22A State. Surface Hopping Simulations Based on a Full Nine-Dimensional Representation of the 1,2,3 … CL Malbon, DR Yarkony The Journal of Physical Chemistry A 119 (28), 7498-7509, 2015 | 17 | 2015 |
| Nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 22A (3s) Rydberg state: A four-dimensional quantum study C Xie, C Malbon, DR Yarkony, H Guo The Journal of Chemical Physics 146 (22), 2017 | 14 | 2017 |
| On the electronic structure of the ground state of cyclopentoxy. The case for a two coupled state description CL Malbon, DR Yarkony, X Zhu Journal of Molecular Spectroscopy 311, 36-41, 2015 | 6 | 2015 |
| Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 32A(3px) Rydberg State: A Nine-Dimensional Quantum Study C Xie, CL Malbon, D Xie, DR Yarkony, H Guo The Journal of Physical Chemistry A 123 (10), 1937-1944, 2019 | 5 | 2019 |
| Nuclear–electronic orbital approach to quantization of protons in periodic electronic structure calculations J Xu, R Zhou, Z Tao, C Malbon, V Blum, S Hammes-Schiffer, Y Kanai The Journal of Chemical Physics 156 (22), 2022 | 3 | 2022 |
| Nonadiabatic Reactive Quenching of OH(A2Σ+) by H2: Origin of High Vibrational Excitation in the H2O Product S Han, B Zhao, R Conte, CL Malbon, JM Bowman, DR Yarkony, H Guo The Journal of Physical Chemistry A 126 (39), 6944-6952, 2022 | 2 | 2022 |
| Simulating electronic excitation induced proton transfer in heterogeneous environments J Xu, R Zhou, C Malbon, T Li, V Blum, S Hammes-Schiffer, Y Kanai APS March Meeting Abstracts 2023, K59. 010, 2023 | | 2023 |
| Quantization of Protons in Periodic Electronic Structure Calculation J Xu, R Zhou, Z Tao, C Malbon, V Blum, S Hammes-Schiffer, Y Kanai APS March Meeting Abstracts 2022, G66. 008, 2022 | | 2022 |
| Stereodynamical Control of Nonadiabatic Quenching Dynamics of OH (A2S+) by H2: Full-Dimensional Quantum Dynamics B Zhao, S Han, C Malbon, U Manthe, D Yarkony, H Guo | | 2021 |
