新材料,石油炼制,石油化工,精细化工,生物医药

生物酶催化模拟，固体表面催化，多相催化模拟，生物体非线性光学性质

Sum-over-states Method;Fulleropyrrolidine Derivative;Polarizability;Density Functional Theory;Length Dependence;Two-photon;First-principles;Artificial Fluorescent Protein Chromophore;Absorption

1. Ling-ting Ye#, Min-yi Zhang#, Ping Huang, Guo-cong Guo, Mao-chun Hong, Chun-sen Li*, John T.S. Irvine*, Kui Xie*. Enhancing CO2 electrolysis through synergistic control of non-stoichiometry and doping to tune cathode surface structures. Nat. Commun. 2017. 8, 14785. 　　2. Bin-Wen Liu#, Min-Yi Zhang#, Xiao-Ming Jiang,* Shu-Fang Li, Hui-Yi Zeng, Guo-Qiang Wang, Yu-Hang Fan, Yong-Fei Su, Chunsen Li,* Guo-Cong Guo,* Jin-Shun Huang. Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4- Functional Motif in Polar Polyselenides A4Ge4Se12 (A=Rb,Cs)" Chem. Mater. 2017. 29, 9200-9207. 　　3. Min-Yi Zhang, Guang-She Li, Li-Ping Li*. Graphene nanoribbons generate a strong third-order nonlinear optical response upon intercalating hexagonal boron nitride. J. Mater. Chem. C, 2014.2, 1482-1488. 　　4. Min-Yi Zhang, Can Xu, Chen Sheng Lin, Xiangfeng Guan and Wen-Dan Cheng*. Theoretical Study of the proton transfer wires influence on the one- and two-photon absorption properties of Green Fluorescent Protein chromophore.Org. Biomol. Chem., 2013, 11, 1414-1422.

1. Graphene Nanoribbons Generate a Strong Third-Order Nonlinear Optical Response Upon Intercalating Hexagonal Boron Nitride
Minyi Zhang; Guangshe Li; Liping Li
Journal of Materials Chemistry C, 2013

2. First-principles Study of One- and Two-Photon Absorption of the H-bonding Complexes from Monomeric Red Fluorescent Proteins with Large Stokes Shifts.
Min-Yi Zhang; Jin-Yun Wang; Chen Sheng Lin; Wen-Dan Cheng
The Journal of Physical Chemistry B, 2011

3. A Theoretical Study on the Mechanism of Hydrogenation of Carboxylic Acids Catalyzed by the Saito Catalyst
Qianqian Lu; Jinshuai Song; Minyi Zhang; Jing Wei; Chunsen Li
DALTON TRANSACTIONS, 2018

4. Theoretical Study of the Proton Transfer Wires Influence on the One- and Two-Photon Absorption Properties of Green Fluorescent Protein Chromophore
Min-Yi Zhang; Can Xu; Chen-Sheng Lin; Xiangfeng Guan; Wen-Dan Cheng
Organic & Biomolecular Chemistry, 2013

5. Electronic Structures, Excited Spectra, And Nonlinear Optical Properties Of N-Methyl-Fulleropyrrolidine-Oligoaniline Dyads Nmpc60-An(N)(N = 1-5): Quantum Chemistry Study
Jin-Yun Wang; Chen-Sheng Lin; Min-Yi Zhang; Guo-Liang Chai; Hao Zhang; Zhang-Zhen He; Wen-Dan Cheng
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2010

6. First-principles study of one and two-photon absorption of an artificial fluorescent protein chromophore by 5-hydroxytryptophan substitution
Minyi Zhang; Guangshe Li; Liping Li
Chemical Physics Letters, 2013

7. ELECTRONIC STRUCTURES, EXCITED SPECTRA, AND NONLINEAR OPTICAL PROPERTIES OF N-METHYL–FULLEROPYRROLIDINE–OLIGOANILINE DYADS NMPC₆₀–AN_n (n = 1–5): QUANTUM CHEMISTRY STUDY
JIN-YUN WANG; CHEN-SHENG LIN; MIN-YI ZHANG; GUO-LIANG CHAI; HAO ZHANG; ZHANG-ZHEN HE; WEN-DAN CHENG
Journal of Theoretical and Computational Chemistry, 2010