| Year |
Citation |
Score |
| 2023 |
Peng J, Hu D, Liu H, Shi Q, Bao P, Lan Z. Studies of nonadiabatic dynamics in the singlet fission processes of pentacene dimer via tensor network method. The Journal of Chemical Physics. 159. PMID 38063228 DOI: 10.1063/5.0174416 |
0.567 |
|
| 2023 |
Zhang J, Peng J, Zhu Y, Hu D, Lan Z. Influence of Mode-Specific Excitation on the Nonadiabatic Dynamics of Methyl Nitrate (CHONO). The Journal of Physical Chemistry Letters. 6542-6549. PMID 37450883 DOI: 10.1021/acs.jpclett.3c00664 |
0.543 |
|
| 2023 |
Hu D, Huo P. Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models. Journal of Chemical Theory and Computation. PMID 37000936 DOI: 10.1021/acs.jctc.3c00137 |
0.326 |
|
| 2022 |
Hu D, Mandal A, Weight BM, Huo P. Quasi-diabatic propagation scheme for simulating polariton chemistry. The Journal of Chemical Physics. 157: 194109. PMID 36414442 DOI: 10.1063/5.0127118 |
0.383 |
|
| 2022 |
Xu C, Lin K, Hu D, Gu FL, Gelin MF, Lan Z. Ultrafast Internal Conversion Dynamics through the on-the-Fly Simulation of Transient Absorption Pump-Probe Spectra with Different Electronic Structure Methods. The Journal of Physical Chemistry Letters. 13: 661-668. PMID 35023755 DOI: 10.1021/acs.jpclett.1c03373 |
0.551 |
|
| 2021 |
Hu D, Peng J, Chen L, Gelin MF, Lan Z. Spectral Fingerprint of Excited-State Energy Transfer in Dendrimers through Polarization-Sensitive Transient-Absorption Pump-Probe Signals: On-the-Fly Nonadiabatic Dynamics Simulations. The Journal of Physical Chemistry Letters. 9710-9719. PMID 34590858 DOI: 10.1021/acs.jpclett.1c02640 |
0.542 |
|
| 2021 |
Zhang J, Peng J, Hu D, Lan Z. Investigation of nonadiabatic dynamics in the photolysis of methyl nitrate (CHONO) by on-the-fly surface hopping simulation. Physical Chemistry Chemical Physics : Pccp. PMID 34546246 DOI: 10.1039/d1cp03226g |
0.556 |
|
| 2021 |
Lin K, Hu D, Peng J, Xu C, Gu FL, Lan Z. Prediction of the excited-state reaction channels in photo-induced processes of nitrofurantoin using first-principle calculations and dynamics simulations. Chemosphere. 281: 130831. PMID 34289597 DOI: 10.1016/j.chemosphere.2021.130831 |
0.541 |
|
| 2021 |
Hu D, Xie Y, Peng J, Lan Z. On-the-Fly Symmetrical Quasi-Classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections. Journal of Chemical Theory and Computation. PMID 34028268 DOI: 10.1021/acs.jctc.0c01249 |
0.557 |
|
| 2021 |
Peng J, Xie Y, Hu D, Lan Z. Analysis of bath motion in MM-SQC dynamics via dimensionality reduction approach: Principal component analysis. The Journal of Chemical Physics. 154: 094122. PMID 33685149 DOI: 10.1063/5.0039743 |
0.563 |
|
| 2019 |
Peng J, Xie Y, Hu D, Lan Z. Performance of trajectory surface hopping method in the treatment of ultrafast intersystem crossing dynamics. The Journal of Chemical Physics. 150: 164126. PMID 31042919 DOI: 10.1063/1.5079426 |
0.501 |
|
| 2018 |
Li X, Hu D, Xie Y, Lan Z. Analysis of trajectory similarity and configuration similarity in on-the-fly surface-hopping simulation on multi-channel nonadiabatic photoisomerization dynamics. The Journal of Chemical Physics. 149: 244104. PMID 30599730 DOI: 10.1063/1.5048049 |
0.527 |
|
| 2018 |
Pang X, Jiang C, Qi Y, Yuan L, Hu D, Zhang X, Zhao D, Wang D, Lan Z, Li F. Ultrafast unidirectional chiral rotation in the Z-E photoisomerization of two azoheteroarene photoswitches. Physical Chemistry Chemical Physics : Pccp. PMID 30289421 DOI: 10.1039/C8Cp04762F |
0.512 |
|
| 2018 |
Hu D, Xie Y, Li X, Li L, Lan Z. The Inclusion of Machine Learning Kernel Ridge Regression Potential Energy Surfaces in On-the-Fly Nonadiabatic Molecular Dynamics Simulation. The Journal of Physical Chemistry Letters. PMID 29732893 DOI: 10.1021/Acs.Jpclett.8B00684 |
0.595 |
|
| 2017 |
Li X, Xie Y, Hu D, Lan Z. Correction to Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping. Journal of Chemical Theory and Computation. PMID 29160069 DOI: 10.1021/acs.jctc.7b01155 |
0.465 |
|
| 2017 |
Gan W, Wu W, Yang F, Hu D, Fang H, Lan Z, Yuan Q. The behavior of hydroxide and hydronium ions at the hexadecane-water interface studied with second harmonic generation and zeta potential measurements. Soft Matter. PMID 29043365 DOI: 10.1039/C7Sm00813A |
0.367 |
|
| 2017 |
Li X, Xie Y, Hu D, Lan Z. Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Mapping. Journal of Chemical Theory and Computation. PMID 28862858 DOI: 10.1021/Acs.Jctc.7B00394 |
0.571 |
|
| 2017 |
Hu D, Liu YF, Sobolewski AL, Lan Z. Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods. Physical Chemistry Chemical Physics : Pccp. PMID 28702524 DOI: 10.1039/C7Cp01732D |
0.576 |
|
| 2017 |
Pang X, Cui X, Hu D, Jiang C, Zhao D, Lan Z, Li FL. "Watching" the Dark State in Ultrafast Nonadiabatic Photoisomerization Process of a Light-Driven Molecular Rotary Motor. The Journal of Physical Chemistry. A. PMID 28103031 DOI: 10.1021/Acs.Jpca.6B12253 |
0.525 |
|
| 2015 |
Huang J, Du L, Hu D, Lan Z. Erratum: Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers. Journal of Computational Chemistry. 36: 2208. PMID 26417838 DOI: 10.1002/Jcc.24041 |
0.576 |
|
| 2015 |
Huang J, Du L, Hu D, Lan Z. Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers. Journal of Computational Chemistry. 36: 1858. PMID 26255784 DOI: 10.1002/jcc.24005 |
0.504 |
|
| 2015 |
Huang J, Du L, Hu D, Lan Z. Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers. Journal of Computational Chemistry. 36: 151-63. PMID 25413342 DOI: 10.1002/jcc.23778 |
0.541 |
|
| 2015 |
Cong Z, Li W, Hu D, Lan Z, Hou B. Study of adsorption behavior and inhibition mechanism of mild steel in hydrochloric acid by a novel thiadiazole derivative Electrochemistry. 83: 262-267. DOI: 10.5796/Electrochemistry.83.262 |
0.446 |
|
| 2015 |
Huang J, Zheng J, Du L, Hu D, Lan Z, Xie Y. 化学动力学中的非绝热过程及其理论研究 Scientia Sinica Chimica. 45: 777-799. DOI: 10.1360/N032015-00050 |
0.409 |
|
| 2015 |
Liu YF, Guan J, Hu D, Du L, Sun H, Gao J, Zhao J, Lan Z. Computational investigation of acene-modified zinc-porphyrin based sensitizers for dye-sensitized solar cells Journal of Physical Chemistry C. 119: 8417-8430. DOI: 10.1021/Jp507746P |
0.478 |
|
| 2015 |
Hu D, Huang J, Xie Y, Yue L, Zhuang X, Lan Z. Nonadiabatic dynamics and photoisomerization of biomimetic photoswitches Chemical Physics. 463: 95-105. DOI: 10.1016/J.Chemphys.2015.10.003 |
0.544 |
|
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