Ganglong Cui

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 92

Top Topics

Molecular Dynamics

Electron Transfer

Machine Learning

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Ling-Ya Peng, Rui Jin, Shi-Ru Zhang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Roles of Nonadiabatic Processes, Reaction Mechanism, and Selectivity in Cu-Catalyzed [2 + 2] Photocycloaddition of Norbornene and Acetone to Oxetane. The Journal of organic chemistry 89 (16) (2024)
Kai-Yue Huang, Gao-Yi Li, Xiaoqin Liang, Kai Li, Laicai Li, Ganglong Cui, Xiang-Yang Liu
"On-the-Fly" Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation. The journal of physical chemistry. A (2024)
Yang Zhang, Meng-Ru Jia, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Photoinduced Dynamics of a Single-Walled Carbon Nanotube with a sp 3 Defect: The Importance of Excitonic Effects. The journal of physical chemistry. A (2024)
Kai-Yue Huang, Gao-Yi Li, Xiaoqin Liang, Kai Li, Laicai Li, Ganglong Cui, Xiang-Yang Liu
"On-the-Fly" Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation. The journal of physical chemistry. A 128 (34) (2024)
Yang Zhang, Meng-Ru Jia, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Photoinduced Dynamics of a Single-Walled Carbon Nanotube with a sp 3 Defect: The Importance of Excitonic Effects. The journal of physical chemistry. A 128 (17) (2024)
Yuan-Jun Gao, Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
A Green Host-Guest Protocol to Improve Water Solubility of Fluorescent Dyes. The journal of physical chemistry letters (2024)
Xiang-Yang Liu, Sheng-Rui Wang, Wei-Hai Fang, Ganglong Cui
Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation. Journal of chemical theory and computation (2024)
Xiang-Yang Liu, Sheng-Rui Wang, Wei-Hai Fang, Ganglong Cui
Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation. Journal of chemical theory and computation 20 (9) (2024)
Ling-Ya Peng, Rui Jin, Shi-Ru Zhang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Roles of Nonadiabatic Processes, Reaction Mechanism, and Selectivity in Cu-Catalyzed [2 + 2] Photocycloaddition of Norbornene and Acetone to Oxetane. The Journal of organic chemistry (2024)
Kai-Yue Huang, Gao-Yi Li, Xiaoqin Liang, Kai Li, Laicai Li, Ganglong Cui, Xiang-Yang Liu
"On-the-Fly" Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation. The journal of physical chemistry. A 128 (34) (2024)
Jia-Ning Zhou, Ke-Qin Cheng, Xiaolong Zhang, Shubin Yang, Jie Liu, Wenzuo Li, Qingzhong Li, Juan Han, Xiao-Ying Xie, Ganglong Cui
Mechanistic insights into photoinduced energy and charge transfer dynamics between magnesium-centered tetrapyrroles and carbon nanotubes. Physical chemistry chemical physics : PCCP (2023)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters 14 (10) (2023)
Shuai Liu, Sha-Sha Liu, Xiao-Mei Tang, Xiang-Yang Liu, Jia-Jia Yang, Ganglong Cui, Laicai Li
Solvent effects on the photoinduced charge separation dynamics of directly linked zinc phthalocyanine-perylenediimide dyads: a nonadiabatic dynamics simulation with an optimally tuned screened range-separated hybrid functional. Physical chemistry chemical physics : PCCP (2023)
Xin-Rui Chen, Wen-Jun Jiang, Qian-Hong Guo, Xiang-Yang Liu, Ganglong Cui, Laicai Li
Theoretical insights into the photophysics of an unnatural base Z: A MS-CASPT2 investigation. Photochemistry and photobiology (2023)
Xiang-Yang Liu, Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
Nonadiabatic Dynamics Simulations for Photoinduced Processes in Molecules and Semiconductors: Methodologies and Applications. Journal of chemical theory and computation (2023)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters (2023)
Wenshuang Huang, Ling-Ya Peng, Jiayu Zhang, Chenrui Liu, Guoyong Song, Ji-Hu Su, Wei-Hai Fang, Ganglong Cui, Shaowei Hu
Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]═NNH 2 Intermediate. Journal of the American Chemical Society 145 (2) (2023)
Ling-Ya Peng, Zi-Wen Li, Guang-Ning Pan, Wen-Kai Chen, Yuan-Jun Gao, Ganglong Cui
Thermally activated delayed fluorescence of a Ir(III) complex: absorption and emission properties, nonradiative rates, and mechanism. Physical chemistry chemical physics : PCCP 25 (8) (2023)
Ling-Ya Peng, Zi-Wen Li, Guang-Ning Pan, Wen-Kai Chen, Yuan-Jun Gao, Ganglong Cui
Thermally activated delayed fluorescence of a Ir(III) complex: absorption and emission properties, nonradiative rates, and mechanism. Physical chemistry chemical physics : PCCP (2023)
Wenshuang Huang, Ling-Ya Peng, Jiayu Zhang, Chenrui Liu, Guoyong Song, Ji-Hu Su, Wei-Hai Fang, Ganglong Cui, Shaowei Hu
Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]═NNH 2 Intermediate. Journal of the American Chemical Society 145 (2) (2023)
Wenshuang Huang, Ling-Ya Peng, Jiayu Zhang, Chenrui Liu, Guoyong Song, Ji-Hu Su, Wei-Hai Fang, Ganglong Cui, Shaowei Hu
Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]═NNH 2 Intermediate. Journal of the American Chemical Society (2023)
Jian-Gong Yang, Xingyu Feng, Nengquan Li, Jiayu Li, Xiu-Fang Song, Ming-De Li, Ganglong Cui, Jingling Zhang, Chenglin Jiang, Chuluo Yang, Kai Li
Highly efficient and stable thermally activated delayed fluorescent palladium(II) complexes for organic light-emitting diodes. Science advances 9 (24) (2023)
Xuanzi Fan, Muliang Zhang, Yuanjun Gao, Qi Zhou, Yanbin Zhang, Jiajia Yu, Wengang Xu, Jianming Yan, Haiwang Liu, Zhexuan Lei, Yan Chong Ter, Supphachok Chanmungkalakul, Yanwei Lum, Xiaogang Liu, Ganglong Cui, Jie Wu
Stepwise on-demand functionalization of multihydrosilanes enabled by a hydrogen-atom-transfer photocatalyst based on eosin Y. Nature chemistry (2023)
Xiao-Ying Xie, Ke-Qin Cheng, Wen-Kai Chen, Wenzuo Li, Qing-Zhong Li, Juan Han, Wei-Hai Fang, Ganglong Cui
Near-Infrared Dual-Emission of a Thiolate-Protected Au 42 Nanocluster: Excited States, Nonradiative Rates, and Mechanism. The journal of physical chemistry letters (2023)
Wenshuang Huang, Ling-Ya Peng, Jiayu Zhang, Chenrui Liu, Guoyong Song, Ji-Hu Su, Wei-Hai Fang, Ganglong Cui, Shaowei Hu
Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]═NNH 2 Intermediate. Journal of the American Chemical Society 145 (2) (2023)
Luis A Ortiz-Rodríguez, Ye-Guang Fang, Germain Niogret, Kaivin Hadidi, Sean J Hoehn, Heather J Folkwein, Steffen Jockusch, Yitzhak Tor, Ganglong Cui, Liraz Levi, Maurizio Persico
Thieno[3,4- d ]pyrimidin-4(3 H )-thione: an effective, oxygenation independent, heavy-atom-free photosensitizer for cancer cells. Chemical science 14 (33) (2023)
Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
Extending multi-layer energy-based fragment method for excited-state calculations of large covalently bonded fragment systems. The Journal of chemical physics 158 (4) (2023)
Rui-Fang Xie, Jing-Bin Zhang, Yang Wu, Laicai Li, Xiang-Yang Liu, Ganglong Cui
Non-negligible roles of charge transfer excitons in ultrafast excitation energy transfer dynamics of a double-walled carbon nanotube. The Journal of chemical physics 158 (5) (2023)
Xiu-Fang Song, Ling-Ya Peng, Wen-Kai Chen, Yuan-Jun Gao, Ganglong Cui
Theoretical studies on thermally activated delayed fluorescence of "carbene-metal-amide" Cu and Au complexes: geometric structures, excitation characters, and mechanisms. Physical chemistry chemical physics : PCCP (2023)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters 14 (10) (2023)
Xue-Ping Chang, Li Yu, Teng-Shuo Zhang, Ganglong Cui
Quantum mechanics/molecular mechanics studies on the mechanistic photophysics of sunscreen oxybenzone in methanol solution. Physical chemistry chemical physics : PCCP 24 (21) (2022)
Jiahui Wu, Xiaohang Chen, Shu-Hua Xia, Ganglong Cui, Yan Zhang
Excited-state photochemistry dynamics of 2-(1-naphthyl) phenol: electronic structure calculations and non-adiabatic dynamics simulations. Physical chemistry chemical physics : PCCP 24 (35) (2022)
Bin-Bin Xie, Pei-Ke Jia, Ke-Xin Wang, Wen-Kai Chen, Xiang-Yang Liu, Ganglong Cui
Generalized Ab Initio Nonadiabatic Dynamics Simulation Methods from Molecular to Extended Systems. The journal of physical chemistry. A 126 (11) (2022)
Chen Dong, Jia-Jia Yang, Lin-Hua Xie, Ganglong Cui, Wei-Hai Fang, Jian-Rong Li
Catalytic ozone decomposition and adsorptive VOCs removal in bimetallic metal-organic frameworks. Nature communications 13 (1) (2022)
Jiahui Wu, Xiaohang Chen, Ling-Ya Peng, Ganglong Cui, Shu-Hua Xia
Excited-State Deactivation Mechanism of 3,5-bis(2-hydroxyphenyl)-1 H -1,2,4-triazole: Electronic Structure Calculations and Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A 126 (25) (2022)
Xin-Wei Sun, Ling-Ya Peng, Yuan-Jun Gao, Qiu Fang, Ganglong Cui
Thermally Activated Delayed Fluorescence of a Pyromellitic Diimide Derivative in the Film Environment Investigated by Combined QM/MM and MS-CASPT2 Methods. The journal of physical chemistry. A 126 (26) (2022)
Jian-Gong Yang, Xiu-Fang Song, Gang Cheng, Siping Wu, Xingyu Feng, Ganglong Cui, Wai-Pong To, Xiaoyong Chang, Yong Chen, Chi-Ming Che, Chuluo Yang, Kai Li
Conformational Engineering of Two-Coordinate Gold(I) Complexes: Regulation of Excited-State Dynamics for Efficient Delayed Fluorescence. ACS applied materials & interfaces 14 (11) (2022)
Xiu-Fang Song, Ling-Ya Peng, Wen-Kai Chen, Yuan-Jun Gao, Wei-Hai Fang, Ganglong Cui
Thermally Activated Delayed Fluorescence of a Dinuclear Platinum(II) Compound: Mechanism and Roles of an Upper Triplet State. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (63) (2022)
Dan Mao, Xin-Rui Chen, Dong-Heng Li, Xiang-Yang Liu, Ganglong Cui, Laicai Li
Ultrafast charge transfer in a nonfullerene all-small-molecule organic solar cell: a nonadiabatic dynamics simulation with optimally tuned range-separated functional. Physical chemistry chemical physics : PCCP 24 (44) (2022)
Jian-Xin Wang, Ling-Ya Peng, Zheng-Fei Liu, Xin Zhu, Li-Ya Niu, Ganglong Cui, Qing-Zheng Yang
Tunable Fluorescence and Afterglow in Organic Crystals for Temperature Sensing. The journal of physical chemistry letters 13 (8) (2022)
Xiu-Fang Tang, Pei-Ke Jia, Yanying Zhao, Jia-Dan Xue, Ganglong Cui, Bin-Bin Xie
A theoretical insight into excited-state decay and proton transfer of p -nitrophenylphenol in the gas phase and methanol solution. Physical chemistry chemical physics : PCCP 24 (34) (2022)
Xiu-Fang Song, Zi-Wen Li, Wen-Kai Chen, Yuan-Jun Gao, Ganglong Cui
Thermally Activated Delayed Fluorescence Mechanism of a Bicyclic "Carbene-Metal-Amide" Copper Compound: DFT/MRCI Studies and Roles of Excited-State Structure Relaxation. Inorganic chemistry 61 (20) (2022)
Shuang Zhang, Ya-Ping Zeng, Xu-Jiang Wan, Dong-Hui Xu, Xiang-Yang Liu, Ganglong Cui, Laicai Li
Ultrafast exciton delocalization and localization dynamics of a perylene bisimide quadruple π-stack: a nonadiabatic dynamics simulation. Physical chemistry chemical physics : PCCP 24 (12) (2022)
Ling-Ya Peng, Zi-Wen Li, Qiu Fang, Bin-Bin Xie, Shu-Hua Xia, Ganglong Cui
Combined QM (MS-CASPT2)/MM studies on photocyclization and photoisomerization of a fulgide derivative in toluene solution. Physical chemistry chemical physics : PCCP (2022)
Ye-Guang Fang, Danillo Valverde, Sebastian Mai, Sylvio Canuto, Antonio Carlos Borin, Ganglong Cui, Leticia González
Excited-State Properties and Relaxation Pathways of Selenium-Substituted Guanine Nucleobase in Aqueous Solution and DNA Duplex. The journal of physical chemistry. B 125 (7) (2021)
Yun-Hua Zhu, Teng-Shuo Zhang, Xiu-Fang Tang, Bin-Bin Xie, Ganglong Cui
MS-CASPT2 studies on the mechanistic photophysics of tellurium-substituted guanine and cytosine. Physical chemistry chemical physics : PCCP 23 (21) (2021)
Zi-Wen Li, Jia-Jia Yang, Xiang-Yang Liu, Wei-Hai Fang, Haobin Wang, Ganglong Cui
Chemical Bonding as a New Avenue for Controlling Excited-State Properties and Excitation Energy-Transfer Processes in Zinc Phthalocyanine-Fullerene Dyads. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (12) (2021)
Xiang-Yang Liu, Jia-Jia Yang, Wen-Kai Chen, Alexey V Akimov, Wei-Hai Fang, Ganglong Cui
Spin-Orbit Coupling Accelerates the Photoinduced Interfacial Electron Transfer in a Fullerene-Based Perovskite Heterojunction. The journal of physical chemistry letters 12 (4) (2021)
Jia-Jia Yang, Wen-Kai Chen, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Spin-Orbit Coupling Is the Key to Promote Asynchronous Photoinduced Charge Transfer of Two-Dimensional Perovskites. JACS Au 1 (8) (2021)
Yun-Hua Zhu, Xiu-Fang Tang, Xue-Ping Chang, Teng-Shuo Zhang, Bin-Bin Xie, Ganglong Cui
Mechanistic Photophysics of Tellurium-Substituted Uracils: Insights from Multistate Complete-Active-Space Second-Order Perturbation Calculations. The journal of physical chemistry. A 125 (40) (2021)
Bin-Bin Xie, Xiu-Fang Tang, Xiang-Yang Liu, Xue-Ping Chang, Ganglong Cui
Mechanistic photophysics and photochemistry of unnatural bases and sunscreen molecules: insights from electronic structure calculations. Physical chemistry chemical physics : PCCP (2021)
Zi-Wen Li, Ling-Ya Peng, Xiu-Fang Song, Wen-Kai Chen, Yuan-Jun Gao, Wei-Hai Fang, Ganglong Cui
Room-Temperature Phosphorescence and Thermally Activated Delayed Fluorescence in the Pd Complex: Mechanism and Dual Upconversion Channels. The journal of physical chemistry letters 12 (25) (2021)
Xue-Ping Chang, Teng-Shuo Zhang, Ye-Guang Fang, Ganglong Cui
Quantum Mechanics/Molecular Mechanics Studies on the Photophysical Mechanism of Methyl Salicylate. The journal of physical chemistry. A 125 (9) (2021)
Long Wang, Teng-Shuo Zhang, Liyuan Fu, Shaohua Xie, Yishi Wu, Ganglong Cui, Wei-Hai Fang, Jiannian Yao, Hongbing Fu
High-Lying 31Ag Dark-State-Mediated Singlet Fission. Journal of the American Chemical Society 143 (15) (2021)
Xue-Ping Chang, Teng-Shuo Zhang, Ganglong Cui
Theoretical Studies on the Excited-State Decay Mechanism of Homomenthyl Salicylate in a Gas Phase and an Acetonitrile Solution. The journal of physical chemistry. A 126 (1) (2021)
Xiang-Yang Liu, Zi-Wen Li, Wei-Hai Fang, Ganglong Cui
Nonadiabatic Exciton and Charge Separation Dynamics at Interfaces of Zinc Phthalocyanine and Fullerene: Orientation Does Matter. The journal of physical chemistry. A 124 (37) (2020)
Ya-Hui Zhang, Xin-Wei Sun, Teng-Shuo Zhang, Xiang-Yang Liu, Ganglong Cui
Nonadiabatic Dynamics Simulations on Early-Time Photochemistry of Spirobenzopyran. The journal of physical chemistry. A 124 (13) (2020)
Jian-Xin Wang, Teng-Shuo Zhang, Xin Zhu, Chun-Xiang Li, Lei Dong, Ganglong Cui, Qing-Zheng Yang
Organic Thermometers Based on Aggregation of Difluoroboron β-Diketonate Chromophores. The journal of physical chemistry. A 124 (48) (2020)
Teng-Shuo Zhang, Ye-Guang Fang, Xiu-Fang Song, Wei-Hai Fang, Ganglong Cui
Hydrogen-Bonding Interaction Regulates Photoisomerization of a Single-Bond-Rotation Locked Photoactive Yellow Protein Chromophore in Protein. The journal of physical chemistry letters 11 (7) (2020)
Wen-Kai Chen, Yaolong Zhang, Bin Jiang, Wei-Hai Fang, Ganglong Cui
Efficient Construction of Excited-State Hessian Matrices with Machine Learning Accelerated Multilayer Energy-Based Fragment Method. The journal of physical chemistry. A 124 (27) (2020)
Lin Shen, Binbin Xie, Ziwen Li, Lihong Liu, Ganglong Cui, Wei-Hai Fang
Role of Multistate Intersections in Photochemistry. The journal of physical chemistry letters 11 (20) (2020)
Xiao-Ying Xie, Xiang-Yang Liu, Qiu Fang, Wei-Hai Fang, Ganglong Cui
Photoinduced Carrier Dynamics at the Interface of Pentacene and Molybdenum Disulfide. The journal of physical chemistry. A 123 (36) (2019)
Zhuang Wu, Changyun Chen, Jie Liu, Yan Lu, Jian Xu, Xiangyang Liu, Ganglong Cui, Tarek Trabelsi, Joseph S Francisco, Artur Mardyukov, André K Eckhardt, Peter R Schreiner, Xiaoqing Zeng
Caged Nitric Oxide-Thiyl Radical Pairs. Journal of the American Chemical Society 141 (8) (2019)
Jia-Jia Yang, Xiang-Yang Liu, Wei-Hai Fang, Dequan Xiao, Ganglong Cui
Photoinduced Carrier Dynamics at the Interface of Black Phosphorus and Bismuth Vanadate. The journal of physical chemistry. A 123 (46) (2019)
Ting Wang, Li Xia, Jia-Jia Yang, Huanbo Wang, Wei-Hai Fang, Hongyu Chen, Dianping Tang, Abdullah Mohammed Asiri, Yonglan Luo, Ganglong Cui, Xuping Sun
Electrocatalytic N2-to-NH3 conversion using oxygen-doped graphene: experimental and theoretical studies. Chemical communications (Cambridge, England) 55 (52) (2019)
Xue-Ping Chang, Ye-Guang Fang, Ganglong Cui
QM/MM Studies on the Photophysical Mechanism of a Truncated Octocrylene Model. The journal of physical chemistry. A 123 (41) (2019)
Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
Integrating Machine Learning with the Multilayer Energy-Based Fragment Method for Excited States of Large Systems. The journal of physical chemistry letters 10 (24) (2019)
Xiang-Yang Liu, Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
Nonadiabatic Dynamics Simulations Reveal Distinct Effects of the Thickness of PTB7 on Interfacial Electron and Hole Transfer Dynamics in PTB7@MoS2 Heterostructures. The journal of physical chemistry letters 10 (11) (2019)
Qian Wang, Yuan-Jun Gao, Ting-Ting Zhang, Juan Han, Ganglong Cui
QM/MM studies on luminescence mechanism of dinuclear copper iodide complexes with thermally activated delayed fluorescence. RSC advances 9 (36) (2019)
Teng-Shuo Zhang, Zi-Wen Li, Qiu Fang, Mario Barbatti, Wei-Hai Fang, Ganglong Cui
Stereoselective Excited-State Isomerization and Decay Paths in cis-Cyclobiazobenzene. The journal of physical chemistry. A 123 (29) (2019)
Diandong Tang, Wei-Hai Fang, Lin Shen, Ganglong Cui
Combining Meyer-Miller Hamiltonian with electronic structure methods for on-the-fly nonadiabatic dynamics simulations: implementation and application. Physical chemistry chemical physics : PCCP 21 (31) (2019)
Xiang-Yang Liu, Ya-Hui Zhang, Wei-Hai Fang, Ganglong Cui
Early-Time Excited-State Relaxation Dynamics of Iridium Compounds: Distinct Roles of Electron and Hole Transfer. The journal of physical chemistry. A 122 (25) (2018)
Huan Wang, Yufeng Ding, Wenkai Chen, Yahui Liu, Diandong Tang, Ganglong Cui, Wenhua Li, Jinwei Shi, Zhishan Bo
Broadband Absorption Enhancement in Polymer Solar Cells Using Highly Efficient Plasmonic Heterostructured Nanocrystals. ACS applied materials & interfaces 10 (37) (2018)
Xiang-Yang Liu, Ye-Guang Fang, Bin-Bin Xie, Wei-Hai Fang, Ganglong Cui
QM/MM nonadiabatic dynamics simulations on photoinduced Wolff rearrangements of 1,2,3-thiadiazole. The Journal of chemical physics 146 (22) (2018)
Bin-Bin Xie, Qian Wang, Wei-Wei Guo, Ganglong Cui
The excited-state decay mechanism of 2,4-dithiothymine in the gas phase, microsolvated surroundings, and aqueous solution. Physical chemistry chemical physics : PCCP 19 (11) (2018)
Xiang-Yang Liu, Xiao-Ying Xie, Wei-Hai Fang, Ganglong Cui
Theoretical Insights into Interfacial Electron Transfer between Zinc Phthalocyanine and Molybdenum Disulfide. The journal of physical chemistry. A 122 (50) (2018)
Yuejie Ai, Jinlu Xing, Anrui Zhang, Chaofeng Zhao, Yang Liu, Binbin Xie, Weiqiang Chen, Ganglong Cui, Zhanhui Lu, Xiangke Wang
Computational Study on the Excited-State Decay of 5-Methylcytosine and 5-Hydroxymethylcytosine: The Common Form of DNA Methylation and Its Oxidation Product. The journal of physical chemistry. B 122 (46) (2018)
Pin Xiao, Chun-Xiang Li, Wei-Hai Fang, Ganglong Cui, Walter Thiel
Mechanism of the Visible-Light-Mediated Copper-Catalyzed Coupling Reaction of Phenols and Alkynes. Journal of the American Chemical Society 140 (44) (2018)
Wen-Kai Chen, Xiang-Yang Liu, Wei-Hai Fang, Pavlo O Dral, Ganglong Cui
Deep Learning for Nonadiabatic Excited-State Dynamics. The journal of physical chemistry letters 9 (23) (2018)
Ye-Guang Fang, Chun-Xiang Li, Xue-Ping Chang, Ganglong Cui
Photophysics of a UV-B Filter 4-Methylbenzylidene Camphor: Intersystem Crossing Plays an Important Role. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (6) (2018)
Xiao-Ying Xie, Pin Xiao, Xiaoyan Cao, Wei-Hai Fang, Ganglong Cui, Michael Dolg
The Origin of the Photoluminescence Enhancement of Gold-Doped Silver Nanoclusters: The Importance of Relativistic Effects and Heteronuclear Gold-Silver Bonds. Angewandte Chemie (International ed. in English) 57 (31) (2018)
Xiang-Yang Liu, Zi-Wen Li, Wei-Hai Fang, Ganglong Cui
Nonadiabatic dynamics simulations on internal conversion and intersystem crossing processes in gold(i) compounds. The Journal of chemical physics 149 (4) (2018)
Huan Wang, Yufeng Ding, Wenkai Chen, Yahui Liu, Diandong Tang, Ganglong Cui, Wenhua Li, Jinwei Shi, Zhishan Bo
Correction to "Broadband Absorption Enhancement in Polymer Solar Cells Using Highly Efficient Plasmonic Heterostructured Nanocrystals". ACS applied materials & interfaces 10 (46) (2018)
Yuejie Ai, Chaofeng Zhao, Jinlu Xing, Yang Liu, Zhangxia Wang, Jiaren Jin, Shuhua Xia, Ganglong Cui, Xiangke Wang
Excited-State Decay Pathways of Flavin Molecules in Five Redox Forms: The Role of Conical Intersections. The journal of physical chemistry. A 122 (40) (2018)
Dan Wu, Ya-Ting Wang, Wei-Hai Fang, Ganglong Cui, Walter Thiel
QM/MM Studies on Photoisomerization Dynamics of Azobenzene Chromophore Tethered to a DNA Duplex: Local Unpaired Nucleobase Plays a Crucial Role. Chemistry, an Asian journal 13 (7) (2018)
Binbin Xie, Ganglong Cui, Wei-Hai Fang
Multiple-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylacetone with the Direct ab Initio QTMF Approach. Journal of chemical theory and computation 13 (6) (2017)
Yuan-Jun Gao, Xue-Ping Chang, Xiang-Yang Liu, Quan-Song Li, Ganglong Cui, Walter Thiel
Excited-State Decay Paths in Tetraphenylethene Derivatives. The journal of physical chemistry. A 121 (13) (2017)
Qian Wang, Xiao-Ying Xie, Juan Han, Ganglong Cui
QM and QM/MM Studies on Excited-State Relaxation Mechanisms of Unnatural Bases in Vacuo and Base Pairs in DNA. The journal of physical chemistry. B 121 (46) (2017)
Xiang-Yang Liu, Pin Xiao, Wei-Hai Fang, Ganglong Cui
Theoretical studies of spin state-specific [2 + 2] and [5 + 2] photocycloaddition reactions of n-(1-penten-5-yl)maleimide. Journal of computational chemistry 38 (28) (2017)
Bin-Bin Xie, Xiang-Yang Liu, Qiu Fang, Wei-Hai Fang, Ganglong Cui
The Position of the N Atom Plays a Significant Role for Excited-State Decay of Heterocycles. The journal of physical chemistry letters 8 (5) (2017)
Ya-Ting Wang, Yuan-Jun Gao, Qian Wang, Ganglong Cui
Photochromic Mechanism of a Bridged Diarylethene: Combined Electronic Structure Calculations and Nonadiabatic Dynamics Simulations. The journal of physical chemistry. A 121 (4) (2017)
Pin Xiao, Qian Wang, Wei-Hai Fang, Ganglong Cui
Quantum Chemical Investigation on Photochemical Reactions of Nonanoic Acids at Air-Water Interface. The journal of physical chemistry. A 121 (22) (2017)