Binbin Xie

发表

Excited-state double proton transfer of 1,8-dihydroxy-2-naphthaldehyde: A MS-CASPT2//CASSCF study

G. Cui, Pei-Ke Jia, Ke Wang, 2022, Chinese Journal of Chemical Physics.

Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.

W. Thiel, G. Cui, Qiu Fang, 2015, Physical chemistry chemical physics : PCCP.

Selectively Identifying Exposed-over-Unexposed C-C+ Pairs in Human Telomeric i-Motif Structures with Length-Dependent Polymorphism.

Pei-Ke Jia, Y. Shao, Tong Yang, 2022, Analytical chemistry.

A‐band structural dynamics of thioanisole by resonance Raman spectroscopy

Yanying Zhao, Xuming Zheng, Kemei Pei, 2013 .

Nonadiabatic decay dynamics of phthalide from the light-absorbing S3(ππ*) state-resonance Raman spectroscopy and CASSCF study

W. Fang, J. Xue, Yanying Zhao, 2017 .

Decay Dynamics of 3‐methyl‐3‐pentene‐2‐one from the light absorbing S2(ππ*) state ‐ Resonance Raman Spectroscopy and CASSCF Study

W. Fang, J. Xue, Xuming Zheng, 2014 .

Photoinduced Curtius rearrangements of fluorocarbonyl azide, FC(O)N3: a QM/MM nonadiabatic dynamics simulation.

W. Fang, G. Cui, Cheng-xing Cui, 2018, Physical chemistry chemical physics : PCCP.

Decay dynamics of α,β-carboxylic methyl esters (CH3OCOCH:CHR) in the lower-lying excited states--resonance Raman and complete active space self-consistent field calculation study.

W. Fang, J. Xue, Xuming Zheng, 2014, The Journal of chemical physics.

Surface-hopping dynamics simulations of malachite green: a triphenylmethane dye.

Lihong Liu, G. Cui, Bin-Bin Xie, 2015, The journal of physical chemistry. A.

Electronic structure calculations and nonadiabatic dynamics simulations on reversible photochromic mechanism of spirooxazine

G. Cui, Pei-Ke Jia, Teng-shuo Zhang, 2022, Dyes and Pigments.

Ab initio implementation of quantum trajectory mean-field approach and dynamical simulation of the N2CO photodissociation.

W. Fang, Lihong Liu, G. Cui, 2015, The Journal of chemical physics.

Excited-State Proton Transfer and Decay in Hydrogen-Bonded Oxazole System: MS-CASPT2//CASSCF Study†

G. Cui, Qiu Fang, Chun‐Xiang Li, 2016 .

Vibronic coupling and excited‐state reaction dynamics of pyrazine in 1 1B2u (1ππ*) state by resonance Raman spectroscopy and CASSCF calculation

W. Fang, Xuebo Chen, Yanying Zhao, 2012 .

Theoretical studies on photo-induced cycloaddition and (6-4) reactions of the thymidine:4-thiothymidine dimer in a DNA duplex.

Cheng-xing Cui, Binbin Xie, 2019, Physical chemistry chemical physics : PCCP.

Mechanistic Photophysics of Tellurium-Substituted Uracils: Insights from Multistate Complete-Active-Space Second-Order Perturbation Calculations.

G. Cui, Teng-shuo Zhang, Bin-Bin Xie, 2021, The journal of physical chemistry. A.

Photoprotection Mechanism of p-Methoxy Methylcinnamate: A CASPT2 Study.

G. Cui, Chun‐Xiang Li, Xue-Ping Chang, 2015, The journal of physical chemistry. A.

The excited-state decay mechanism of 2,4-dithiothymine in the gas phase, microsolvated surroundings, and aqueous solution.

G. Cui, Wei-Wei Guo, Binbin Xie, 2017, Physical chemistry chemical physics : PCCP.

Photophysics of Auramine-O: electronic structure calculations and nonadiabatic dynamics simulations.

G. Cui, Shu-Hua Xia, Xue-Ping Chang, 2016, Physical chemistry chemical physics : PCCP.

Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations.

G. Cui, Wei-Wei Guo, Chun‐Xiang Li, 2016, The Journal of chemical physics.

Multiple-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylacetone with the Direct ab Initio QTMF Approach.

W. Fang, G. Cui, Bin-Bin Xie, 2017, Journal of chemical theory and computation.

The Position of the N Atom Plays a Significant Role for Excited-State Decay of Heterocycles.

W. Fang, G. Cui, Qiu Fang, 2017, The journal of physical chemistry letters.

Nonadiabatic dynamics simulation of photoinduced ring-opening reaction of 2(5H)-thiophenone with internal conversion and intersystem crossing.

W. Fang, Diandong Tang, Lin Shen, 2021, Physical chemistry chemical physics : PCCP.

Role of Multistate Intersections in Photochemistry.

W. Fang, Lihong Liu, G. Cui, 2020, The journal of physical chemistry letters.

Theoretical studies on the photochemistry of 2-nitrofluorene in the gas phase and acetonitrile solution.

W. Fang, J. Xue, Lin Shen, 2020, Physical chemistry chemical physics : PCCP.

QM/MM nonadiabatic dynamics simulations on photoinduced Wolff rearrangements of 1,2,3-thiadiazole.

W. Fang, G. Cui, Xiang‐Yang Liu, 2017, The Journal of chemical physics.

Generalized Ab Initio Nonadiabatic Dynamics Simulation Methods from Molecular to Extended Systems.

G. Cui, Xiang-Yang Liu, Pei-Ke Jia, 2022, The journal of physical chemistry. A.

Theories and Applications of Mixed Quantum-Classical Non-adiabatic Dynamics

W. Fang, Lianghui Gao, Binbin Xie, 2018 .

Combined Quantum Trajectory Mean‐Field and Molecular Mechanical (QTMF/MM) Nonadiabatic Dynamics Simulations on the Photoinduced Ring‐Opening Reaction of 2(5H)‐Thiophenone

W. Fang, Binbin Xie, 2019, ChemPhotoChem.

Short-time dynamics and decay mechanism of 2(1H)-pyridinone upon excitation to the light-absorbing S4(21𝝅𝝅*) state.

W. Fang, J. Xue, Xuming Zheng, 2017, The Journal of chemical physics.

Modulating Cation Migration and Deposition with Xylitol Additive and Oriented Reconstruction of Hydrogen Bonds for Stable Zinc Anodes.

Yijun Zhong, Wuquan Ye, Yong Hu, 2023, Angewandte Chemie.

Mechanistic photophysics of tellurium-substituted cytosine: Electronic structure calculations and nonadiabatic dynamics simulations.

Lingxuan Peng, Jie Wang, Bo-Wen Yin, 2023, Photochemistry and photobiology.

CASPT2//CASSCF studies on mechanistic photophysics of 3-hydroxyflavone

Teng-shuo Zhang, Xiantao Ma, Fenghua Fan, 2023, Chemical Physics.

The excited-state decay mechanism of 2,4-dithiothymine in the gas phase, microsolvated surroundings, and aqueous solution.

G. Cui, Wei-Wei Guo, Binbin Xie, 2017, Physical chemistry chemical physics : PCCP.

Understanding the Excited-State Relaxation Mechanisms of Xanthophyll Lutein by Multi-configurational Electronic Structure Calculations

W. Fang, Lin Shen, Teng-shuo Zhang, 2023, Journal of Chemical Information and Modeling.

Improved Interfacial Ion Migration and Deposition through the Chain-Liquid Synergistic Effect by a Carboxylated Hydrogel Electrolyte for Stable Zinc Metal Anodes.

Yijun Zhong, Hongfei Wang, Jie Wang, 2023, Angewandte Chemie.