光合体系分子谱学表征中电子—振动耦合效应的多尺度理论模拟

21573129
2015
B0301.化学理论与方法
林娜
面上项目
教授
山东大学
64万元
能量及电荷传递;多尺度模拟;电子—振动耦合;量子化学计算;分子光谱
2016-01-01到2019-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Theoretical investigation of the broad one-photon absorption line-shape of a flexible symmetric carbazole derivative 期刊论文 Liu Yanli;Cerezo Javier;Santoro Fabrizio;Rizzo Antonio;Lin Na;Zhao Xian
2 Chemical identification of the amyloid peptide aggregation-prone Al(III)-peptide complexes by resonance Raman signatures: A computational study 期刊论文 Tian Baoling;Cheng Changhang;Yue Tongtao;Lin Na;Ren Hao
3 Electronic structure and optical property of metal-doped Ga2O3: a first principles study 期刊论文 Tang Cheng;Sun Jie;Lin Na;Jia Zhitai;Mu Wenxiang;Tao Xutang;Zhao Xian
4 Electronic and transport properties of 2H(1-x)1T(x) MoS2 hybrid structure: A first-principle study 期刊论文 Sun Jie;Lin Na;Tang Cheng;Wang Haoyuan;Ren Hao;Zhao Xian
5 Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctions 期刊论文 Ren Hao;Zhang Guangping;Lin Na;Deng Li;Luo Yi;Huang Fang
6 Charge compensations of Eu2+ and Oi(2) co exist in Eu3+ CaMoO4 single crystal fibers grown by the micro pulling down method 期刊论文 Shu Jun;Jia zhitai;Damiano Eugenio;Wang Haoyuan;Yin Yanru;Lin Na;Zhao Xian;Xu Xinguang;Tonelli Mauro;Tao Xutang
7 Regulating the Catalytic Performance of Single-Atomic-Site Ir Catalyst for Biomass Conversion by Metal-Support Interactions 期刊论文 Tian Shubo;Gong Wanbing;Chen Wenxing;Lin Na;Zhu Youqi;Feng Quanchen;Xu Qi;Fu Qiang;Chen Chun;Luo Jun;Yan Wensheng;Zhao Huijun;Wang Dingsheng;Li Yadong
8 Engineering monomer structure of carbon nitride for the effective and mild photooxidation reaction 期刊论文 Zhang Jinqiang;An Xianghui;Lin Na;Wu Wenting;Wang Lizhuo;Li Zhongtao;Wang Ruiqin;Wang Yang;Liu Junxue;Wu Mingbo
9 The electronic structure, mechanical flexibility and carrier mobility of black arsenic-phosphorus monolayers: a first principles study 期刊论文 Sun Jie;Lin Na;Ren Hao;Tang Cheng;Yang Letao;Zhao Xian
10 Electronic and transport properties of graphene with grain boundaries 期刊论文 Sun Jie;Lin Na;Li Zhenyu;Ren Hao;Tang Cheng;Zhao Xian
11 Identifying Cu(II)-amyloid peptide binding intermediates in the early stages of aggregation by resonance Raman spectroscopy: a simulation study} 期刊论文 Ren Hao;Zhang Yu;Guo Sibei;Lin Na;Deng Li;Yue Tongtao;Huang Fang
12 First principles studies on electronic and transport properties of edge contact graphene-MoS2 heterostructure 期刊论文 Sun Jie;Lin Na;Tang Cheng;Wang Haoyuan;Ren Hao;Zhao Xian
13 Comparison oftheresults ofamean‑field mixed quantum/classical method withfull quantum predictions fornonadiabatic dynamics: application tothe∗∕n∗ decay ofthymine 期刊论文 Liu Yanli;Cerezo Javier;Lin Na;Zhao Xian;Improta Roberto;Santoro Fabrizio
14 First principles study of ferroelectric hexagonal compounds RInO3 (R ¼ Dy, Er, and Ho): electronic structure, optical and dielectric properties 期刊论文 Yu Yifei;Lin Na;Wang Haoyuan;Xu Ran;Ren Hao;Zhao Xian
15 Vibronic Coupling Explains the Different Shape of Electronic Circular Dichroism and of Circularly Polarized Luminescence Spectra of Hexahelicenes 期刊论文 Liu Yanli;Cerezo Javier;Mazzeo Giuseppe;Lin Na;Zhao Xian;Longhi Giovanna;Abbate Sergio;Santoro Fabrizio
16 A first principles study of the interaction between two-dimensional black phosphorus and Al2O3 dielectric 期刊论文 Sun Jie;Lin Na;Tang Cheng;Ren Hao;Zhao Xian
17 Optical Properties of 2D 3R Phase Niobium Disulfide and Its Applications as a Saturable Absorber 期刊论文 Sun Xiaoli;Shi Bingnan;Wang Haoyuan;Lin Na;Liu Shande;Yang Kejian;Zhang Baitao;He Jingliang
18 Polymorphic Smooth Interfaces Formation Based on the Biphasic BaTeMo2O9 Using Top Multi-Seeded Growth 期刊论文 Wu Qian;Gao Zeliang;Wang Haoyuan;Li Conggang;Lu Weiqun;Tian Xiangxin;Sun Youxuan;Lin Na;Xia Shengqing;Tao Xutang
19 Gas adsorption on MoS2/WS2 in-plane heterojunctions and the I-V response: a first principles study 期刊论文 Sun Jie;Lin Na;Ren Hao;Tang Cheng;Yang Letao;Zhao Xian
20 Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The pi pi/n pi Decay of Thymine in Water as a Test Case 期刊论文 Cerezo Javier;Liu Yanli;Lin Na;Zhao Xian;Improta Roberto;Santoro Fabrizio
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