QQ客服 官方微博 反馈留言

浏览/检索结果: 共10条，第1-10条 帮助 限定条件 专题：山东大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Modulating NeH-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2 '-aminophenyl) benzothiazole compounds 期刊论文 CHEMICAL PHYSICS LETTERS, 2019, 卷号: 724, 页码: 57-66 作者:  Yang, Dapeng;  Zhang, Tianjie;  Jia, Min;  Cheng, Shibo 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/11 N-H-based excited-state intramolecular proton transfer  Electron-donating/withdrawing substituents  Potential energy curves  TDDFT method   Modulating mechanism of N-H-based excited-state intramolecular proton transfer by electron-withdrawing substituent at aromatic para-position 期刊论文 CHEMICAL PHYSICS LETTERS, 2019, 卷号: 730, 页码: 76-83 作者:  Yang, Da-Peng;  Zhang, Qiao-Li;  Song, Xiao-Yan;  Cheng, Shi-Bo 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/11 N-H-based excited-state intramolecular proton transfer  Electron-withdrawing/donating substituents  Energy barrier  Substituent  at aromatic para-position   Modulating N–H-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2″-aminophenyl)benzothiazole compounds 期刊论文 Chemical Physics Letters, 2019, 页码: 57-66 作者:  Yang, Dapeng;  Zhang, Tianjie;  Jia, Min;  Cheng, Shibo 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11 Electron-donating/withdrawing substituents  N–H-based excited-state intramolecular proton transfer  Potential energy curves  TDDFT method   Modulating mechanism of N[sbnd]H-based excited-state intramolecular proton transfer by electron-withdrawing substituent at aromatic para-position 期刊论文 Chemical Physics Letters, 2019, 卷号: 730, 页码: 76-83 作者:  Yang, Da-Peng;  Zhang, Qiao-Li;  Song, Xiao-Yan;  Cheng, Shi-Bo 收藏  |  浏览/下载：13/0  |  提交时间：2019/12/11 Electron-withdrawing/donating substituents  Energy barrier  N[sbnd]H-based excited-state intramolecular proton transfer  Substituent at aromatic para-position   Photoinduced excited state dynamical behavior and ESIPT mechanism for 2-(2-hydroxy-3,5-dimethyl-phenyl)-benzooxazole-5-carboxylicacid molecule 期刊论文 CHEMICAL PHYSICS LETTERS, 2019, 卷号: 730, 页码: 485-490 作者:  Zhang, Qiaoli;  Yang, Xiaohui;  Yang, Dapeng;  Cheng, Shibo 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/11 Intramolecular hydrogen bond  ESIPT  Charge transfer  Frontier molecular  orbital  Potential energy barrier   Solvent-Polarity-Dependent Excited-State Behavior and Thermally Active Delayed Fluorescence for Triquinolonobenzene 期刊论文 ACS Applied Bio Materials, 2019, 卷号: 2, 期号: 5, 页码: 2060-2068 作者:  Zhao, Jinfeng;  Dong, Hao;  Yang, Huan;  Zheng, Yujun 收藏  |  浏览/下载：6/0  |  提交时间：2019/12/11 electronic spectra  excited-state proton transfer  intramolecular charge transfer  potential energy surface  solvent polarity  thermally active delayed fluorescence   Theoretical study on the intramolecular charge transfer induced twisting of the nitro and dimethylamino groups 期刊论文 Dyes and Pigments, 2014, 页码: 71-75 作者:  Jiarui Xia;  Meng Zhou;  Shaowu Sun 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/17 Potential energy curves  Twisted intramolecular charge transfer  Relaxation dynamics  Fluorescence spectrum  Molecular orbits  Fluorene   Theoretical study on the intramolecular charge transfer induced twisting of the nitro and dimethylamino groups 期刊论文 DYES AND PIGMENTS, 2014, 卷号: 103, 页码: 71-75 作者:  Xia, Jiarui;  Zhou, Meng;  Sun, Shaowu;  Wang, Guan;  Song, Peng 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/17 Potential energy curves  Twisted intramolecular charge transfer  Relaxation dynamics  Fluorescence spectrum  Molecular orbits  Fluorene   The influence of formamide (model of protein unit) on the intramolecular proton transfer in the DNA simple base guanine: A density functional theory study 期刊论文 International Journal of Quantum Chemistry, 2008, 卷号: 108, 期号: 9, 页码: 1589-1600 作者:  Zhang AG;  Zhang H;  Zhou ZY;  Jia ZK;  Hou RY 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/26 intramolecular proton transfer  density functional theory  formamide  guanine  formamide-guanine  HYDROGEN-BONDING INTERACTION  NUCLEIC-ACID BASES  POTENTIAL-ENERGY SURFACE  POST-HARTREE-FOCK  GAS-PHASE  AB-INITIO  1/1 COMPLEXES  ULTRAVIOLET SPECTROSCOPY  ELECTRONIC-STRUCTURE  RARE TAUTOMERS   Intramolecular proton transfer induced by divalent alkali earth metal cation in the gas state 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2003, 卷号: 94, 期号: 4, 页码: 205-214 作者:  Ai, HQ;  Bu, YX;  Li, P 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 glycine-M2+ (M=Be, Mg, Ca, Sr, Ba) isomers  intramolecular proton  transfer without energy barrier  DFT calculations  binding energies  electrostatic and polarized effects