ZhengGang Lan, Ph.D. - Publications

Affiliations: 
2017- Environmental Research Institute South China Normal University 
Website:
http://seri.scnu.edu.cn/PeopleCN/Professors/2018/1102/284.html

77 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

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  0.735
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  0.729
2022 Fang Y, Huang H, Lin K, Xu C, Gu FL, Lan Z. The impact of different geometrical restrictions on the nonadiabatic photoisomerization of biliverdin chromophores. Physical Chemistry Chemical Physics : Pccp. PMID 36278817 DOI: 10.1039/d2cp02941c  0.351
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  0.77
2021 Lin S, Peng D, Yang W, Gu FL, Lan Z. Theoretical studies on triplet-state driven dissociation of formaldehyde by quasi-classical molecular dynamics simulation on machine-learning potential energy surface. The Journal of Chemical Physics. 155: 214105. PMID 34879677 DOI: 10.1063/5.0067176  0.33
2021 Liu J, Lan Z, Yang J. An efficient implementation of spin-orbit coupling within the framework of semiempirical orthogonalization-corrected methods for ultrafast intersystem crossing dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 34591049 DOI: 10.1039/d1cp03477d  0.35
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  0.771
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  0.729
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  0.724
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  0.721
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  0.726
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  0.697
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  0.701
2018 Xie Y, Zheng J, Lan Z. Performance evaluation of the symmetrical quasi-classical dynamics method based on Meyer-Miller mapping Hamiltonian in the treatment of site-exciton models. The Journal of Chemical Physics. 149: 174105. PMID 30408974 DOI: 10.1063/1.5047002  0.388
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  0.723
2018 Guo H, Zhao C, Zheng Q, Lan Z, Prezhdo OV, Saidi WA, Zhao J. Superatom Molecular Orbital as an Interfacial Charge Separation State. The Journal of Physical Chemistry Letters. PMID 29869887 DOI: 10.1021/Acs.Jpclett.8B01302  0.355
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  0.738
2018 Zhang L, Zheng Q, Xie Y, Lan Z, Prezhdo OV, Saidi WA, Zhao J. Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped Semiconductor. Nano Letters. PMID 29393653 DOI: 10.1021/Acs.Nanolett.7B03933  0.32
2018 Jiang S, Xie Y, Lan Z. The role of the charge-transfer states in the ultrafast excitonic dynamics of the DTDCTB dimers embedded in a crystal environment Chemical Physics. 515: 603-613. DOI: 10.1016/J.Chemphys.2018.07.044  0.394
2017 Xie Y, Jiang S, Zheng J, Lan Z. Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes. The Journal of Physical Chemistry. A. PMID 29172500 DOI: 10.1021/Acs.Jpca.7B07737  0.417
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  0.667
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  0.623
2017 Zheng Q, Saidi WA, Xie Y, Lan Z, Prezhdo OV, Petek H, Zhao J. Phonon Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface. Nano Letters. PMID 28914539 DOI: 10.1021/Acs.Nanolett.7B03429  0.36
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  0.705
2017 Chu W, Saidi WA, Zheng Q, Xie Y, Lan Z, Prezhdo OV, Petek H, Zhao J. Correction to "Ultrafast Dynamics of Photongenerated Holes at a CH3OH/TiO2 Rutile Interface". Journal of the American Chemical Society. PMID 28707891 DOI: 10.1021/Jacs.7B06924  0.333
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  0.754
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  0.733
2017 Zheng J, Xie Y, Jiang S, Long Y, Ning X, Lan Z. Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH† Chinese Journal of Chemical Physics. 30: 800-810. DOI: 10.1063/1674-0068/30/Cjcp1711210  0.462
2017 Jiang S, Zheng J, Yi Y, Xie Y, Yuan F, Lan Z. Ultrafast Excited-State Energy Transfer in DTDCTB Dimers Embedded in a Crystal Environment: Quantum Dynamics with the Multilayer Multiconfigurational Time-Dependent Hartree Method The Journal of Physical Chemistry C. 121: 27263-27273. DOI: 10.1021/Acs.Jpcc.7B08175  0.442
2016 Liu F, Du L, Lan Z, Gao J. Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreens. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. PMID 27982141 DOI: 10.1039/C6Pp00367B  0.417
2016 Chu W, Saidi WA, Zheng Q, Xie Y, Lan Z, Prezhdo OV, Petek H, Zhao J. Ultrafast Dynamics of Photon-Generated Holes at a CH3OH/TiO2 Rutile Interface. Journal of the American Chemical Society. PMID 27656768 DOI: 10.1021/Jacs.6B08725  0.416
2016 Du L, Geng C, Zhang D, Lan Z, Liu C. Atomic Resolution Insights into the Structural Aggregations and Optical Properties of the Neat Imidazolium Based Ionic Liquid. The Journal of Physical Chemistry. B. PMID 27276660 DOI: 10.1021/Acs.Jpcb.6B04218  0.311
2016 Du L, Lan Z. Ultrafast structural flattening motion in photoinduced excited state dynamics of a bis(diimine) copper(i) complex. Physical Chemistry Chemical Physics : Pccp. PMID 26758674 DOI: 10.1039/C5Cp06861D  0.4
2016 Zheng J, Xie Y, Jiang S, Lan Z. Ultrafast nonadiabatic dynamics of singlet fission: Quantum dynamics with the multilayer multiconfigurational time-dependent hartree (ML-MCTDH) method Journal of Physical Chemistry C. 120: 1375-1389. DOI: 10.1021/Acs.Jpcc.5B09921  0.455
2015 Du L, Lan Z. An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications. Journal of Chemical Theory and Computation. 11: 1360-74. PMID 26574348 DOI: 10.1021/Ct501106D  0.467
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  0.744
2015 Yue L, Lan Z, Liu YJ. The Theoretical Estimation of the Bioluminescent Efficiency of the Firefly via a Nonadiabatic Molecular Dynamics Simulation. The Journal of Physical Chemistry Letters. 6: 540-8. PMID 26261976 DOI: 10.1021/Jz502305G  0.37
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  0.708
2015 Wang J, Huang J, Du L, Lan Z. Photoinduced Ultrafast Intramolecular Excited-State Energy Transfer in the Silylene-Bridged Biphenyl and Stilbene (SBS) System: A Nonadiabatic Dynamics Point of View. The Journal of Physical Chemistry. A. PMID 26016776 DOI: 10.1021/Acs.Jpca.5B00354  0.472
2015 Zheng J, Zhuang X, Qiu L, Xie Y, Wan X, Lan Z. Antiaromatic characteristic analysis of 1,4-diazapentalene derivatives: a theoretical study. The Journal of Physical Chemistry. A. 119: 3762-9. PMID 25816207 DOI: 10.1021/Acs.Jpca.5B00163  0.301
2015 Xie Y, Zheng J, Lan Z. Full-dimensional multilayer multiconfigurational time-dependent Hartree study of electron transfer dynamics in the anthracene/C60 complex. The Journal of Chemical Physics. 142: 084706. PMID 25725750 DOI: 10.1063/1.4909521  0.414
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  0.73
2015 Lu Y, Lan Z, Thiel W. Computational modeling of photoexcitation in DNA single and double strands. Topics in Current Chemistry. 356: 89-122. PMID 24647841 DOI: 10.1007/128_2014_533  0.312
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  0.658
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  0.648
2015 Huang J, Du L, Wang J, Lan Z. Photoinduced excited-state energy-transfer dynamics of a nitrogen-cored symmetric dendrimer: From the perspective of the jahn-teller effect Journal of Physical Chemistry C. 119: 7578-7589. DOI: 10.1021/Jp512496Z  0.487
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  0.678
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  0.716
2013 Zhuang X, Wang J, Lan Z. Tracking of the molecular motion in the primary event of photoinduced reactions of a phytochromobilin model. The Journal of Physical Chemistry. B. 117: 15976-86. PMID 24261565 DOI: 10.1021/Jp408799B  0.349
2013 Shemesh D, Lan Z, Gerber RB. Dynamics of triplet-state photochemistry of pentanal: mechanisms of Norrish I, Norrish II, and H abstraction reactions. The Journal of Physical Chemistry. A. 117: 11711-24. PMID 23772671 DOI: 10.1021/Jp401309B  0.732
2013 Guo X, Lan Z, Cao Z. Ab initio insight into ultrafast nonadiabatic decay of hypoxanthine: keto-N7H and keto-N9H tautomers. Physical Chemistry Chemical Physics : Pccp. 15: 10777-82. PMID 23689465 DOI: 10.1039/C3Cp44718A  0.432
2013 Zhuang X, Wang J, Lan Z. Photoinduced nonadiabatic decay and dissociation dynamics of dimethylnitramine. The Journal of Physical Chemistry. A. 117: 4785-93. PMID 23672370 DOI: 10.1021/Jp402180P  0.448
2012 Barbatti M, Lan Z, Crespo-Otero R, Szymczak JJ, Lischka H, Thiel W. Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenine. The Journal of Chemical Physics. 137: 22A503. PMID 23249040 DOI: 10.1063/1.4731649  0.425
2012 Zhang W, Lan Z, Sun Z, Gaffney KJ. Resolving photo-induced twisted intramolecular charge transfer with vibrational anisotropy and TDDFT. The Journal of Physical Chemistry. B. 116: 11527-36. PMID 22934677 DOI: 10.1021/Jp306455M  0.463
2012 Sun Q, Li Z, Lan Z, Pfisterer C, Doerr M, Fischer S, Smith SC, Thiel W. Isomerization mechanism of the HcRed fluorescent protein chromophore. Physical Chemistry Chemical Physics : Pccp. 14: 11413-24. PMID 22801745 DOI: 10.1039/C2Cp41217A  0.349
2012 Venkatesan TS, Ramesh SG, Lan Z, Domcke W. Theoretical analysis of photoinduced H-atom elimination in thiophenol. The Journal of Chemical Physics. 136: 174312. PMID 22583235 DOI: 10.1063/1.4709608  0.603
2012 Heggen B, Lan Z, Thiel W. Nonadiabatic decay dynamics of 9H-guanine in aqueous solution. Physical Chemistry Chemical Physics : Pccp. 14: 8137-46. PMID 22569748 DOI: 10.1039/C2Cp40300E  0.359
2012 Lu Y, Lan Z, Thiel W. Monomeric adenine decay dynamics influenced by the DNA environment. Journal of Computational Chemistry. 33: 1225-35. PMID 22415548 DOI: 10.1002/Jcc.22952  0.431
2012 Lan Z, Nonell S, Barbatti M. Theoretical characterization of absorption and emission spectra of an asymmetric porphycene. The Journal of Physical Chemistry. A. 116: 3366-76. PMID 22394391 DOI: 10.1021/Jp300888A  0.387
2012 Lan Z, Lu Y, Weingart O, Thiel W. Nonadiabatic decay dynamics of a benzylidene malononitrile. The Journal of Physical Chemistry. A. 116: 1510-8. PMID 22260442 DOI: 10.1021/Jp2117888  0.461
2012 Cui G, Lan Z, Thiel W. Intramolecular hydrogen bonding plays a crucial role in the photophysics and photochemistry of the GFP chromophore. Journal of the American Chemical Society. 134: 1662-72. PMID 22175658 DOI: 10.1021/Ja208496S  0.447
2011 Kazaryan A, Lan Z, Schäfer LV, Thiel W, Filatov M. Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor. Journal of Chemical Theory and Computation. 7: 2189-2199. PMID 26606488 DOI: 10.1021/Ct200199W  0.493
2011 Lan Z, Lu Y, Fabiano E, Thiel W. QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 1989-98. PMID 21674744 DOI: 10.1002/Cphc.201001054  0.482
2011 Lu Y, Lan Z, Thiel W. Hydrogen bonding regulates the monomeric nonradiative decay of adenine in DNA strands. Angewandte Chemie (International Ed. in English). 50: 6864-7. PMID 21661082 DOI: 10.1002/Anie.201008146  0.328
2009 Chmura B, Lan Z, Rode MF, Sobolewski AL. Photochemistry of the water dimer: time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection. The Journal of Chemical Physics. 131: 134307. PMID 19814553 DOI: 10.1063/1.3226568  0.42
2009 Lan Z, Fabiano E, Thiel W. Photoinduced nonadiabatic dynamics of 9H-guanine. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 10: 1225-9. PMID 19396844 DOI: 10.1002/Cphc.200900030  0.441
2009 Lan Z, Fabiano E, Thiel W. Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methods. The Journal of Physical Chemistry. B. 113: 3548-55. PMID 19239209 DOI: 10.1021/Jp809085H  0.522
2008 Vieuxmaire OPJ, Lan Z, Sobolewski AL, Domcke W. Ab initio characterization of the conical intersections involved in the photochemistry of phenol Journal of Chemical Physics. 129. PMID 19071916 DOI: 10.1063/1.3028049  0.558
2008 Lan Z, Frutos LM, Sobolewski AL, Domcke W. Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex Proceedings of the National Academy of Sciences of the United States of America. 105: 12707-12712. PMID 18663223 DOI: 10.1073/Pnas.0801062105  0.617
2008 Lan Z, Domcke W. Role of vibrational energy relaxation in the photoinduced nonadiabatic dynamics of pyrrole at the 1 π σ* s(-) S0 conical intersection Chemical Physics. 350: 125-138. DOI: 10.1016/J.Chemphys.2008.01.049  0.576
2007 Credo Chung W, Lan Z, Ohtsuki Y, Shimakura N, Domcke W, Fujimura Y. Conical intersections involving the dissociative 1πσ* state in 9H-adenine: A quantum chemical ab initio study Physical Chemistry Chemical Physics. 9: 2075-2084. PMID 17464388 DOI: 10.1039/B618745E  0.612
2007 Lan Z, Dupays A, Vallet V, Mahapatra S, Domcke W. Photoinduced multi-mode quantum dynamics of pyrrole at the 1π σ*- S0 conical intersections Journal of Photochemistry and Photobiology a: Chemistry. 190: 177-189. DOI: 10.1016/J.Jphotochem.2007.01.018  0.578
2006 Abe M, Ohtsuki Y, Fujimura Y, Lan Z, Domcke W. Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol. The Journal of Chemical Physics. 124: 224316. PMID 16784283 DOI: 10.1063/1.2203611  0.509
2006 Motzke A, Lan Z, Woywod C, Domcke W. Simulation of the photodetachment spectrum of the pyrrolide anion Chemical Physics. 329: 50-64. DOI: 10.1016/J.Chemphys.2006.07.048  0.551
2005 Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W. Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections. The Journal of Chemical Physics. 123: 144307. PMID 16238391 DOI: 10.1063/1.2049250  0.594
2005 Lan Z, Domcke W, Vallet V, Sobolewski AL, Mahapatra S. Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol. The Journal of Chemical Physics. 122: 224315. PMID 15974676 DOI: 10.1063/1.1906218  0.6
2004 Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W. Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of pyrrole. Faraday Discussions. 127: 283-93. PMID 15471350 DOI: 10.1039/B402979H  0.598
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