QQ客服 官方微博 反馈留言

浏览/检索结果: 共5条，第1-5条 帮助 限定条件 发表日期：2016    专题：北京大学    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 Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016 Li, Zhendong; Liu, Wenjian 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 DENSITY-FUNCTIONAL THEORY  COUPLED-CLUSTER METHOD  MULTIREFERENCE PERTURBATION-THEORY  MOLECULAR-EXCITATION ENERGIES  LINEAR-RESPONSE THEORY  WAVE-FUNCTION  PEPTIDE RADICALS  PROGRAM PACKAGE  ORBITAL THEORY  SPIN-DENSITY   New cyclometalated transition-metal based photosensitizers for singlet oxygen generation and photodynamic therapy 期刊论文 SCIENCE CHINA-CHEMISTRY, 2016 Jiang, Xinpeng; Zhu, Ningbo; Zhao, Dahui; Ma, Yuguo 收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03 photosensitizer  singlet oxygen  photodynamic therapy  cyclometalated  transition-metal complexes  AROMATIC TRIPLET-STATES  LIGHT-EMITTING-DIODES  IRIDIUM COMPLEXES  IR(III) COMPLEXES  EXCITED-STATES  PHOTOPHYSICAL PROPERTIES  PLATINUM(II) COMPLEXES  PHOTOCHEMICAL PROPERTIES  RUTHENIUM(II) COMPLEXES  MOLECULAR DESIGN   Iridium-Based High-Sensitivity Oxygen Sensors and Photosensitizers with Ultralong Triplet Lifetimes 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2016 Jiang, Xinpeng; Peng, Jiang; Wang, Jianchun; Guo, Xinyan; Zhao, Dahui; Ma, Yuguo 收藏  |  浏览/下载：6/0  |  提交时间：2017/12/03 triplet energy transfer  photosensitizer  oxygen sensor  triscyclometalated iridium  triplet lifetime  CYCLOMETALATED IR(III) COMPLEXES  ANNIHILATION UP-CONVERSION  RUTHENIUM(II) BIPYRIDINE COMPLEXES  TRIDENTATE POLYPYRIDINE LIGANDS  DELAYED FLUORESCENCE MATERIALS  ROOM-TEMPERATURE LUMINESCENCE  EXCITED-STATE PROCESSES  ENERGY-TRANSFER  PHOTODYNAMIC THERAPY  METAL-COMPLEXES   Room-temperature phosphorescence from purely organic materials 期刊论文 CHINESE CHEMICAL LETTERS, 2016 Liu, Yang; Zhan, Ge; Liu, Zhi-Wei; Bian, Zu-Qiang; Huang, Chun-Hui 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 Room-temperature phosphorescence  Purely organic material  Intersystem crossing  Non-radiation transition  LIGHT-EMITTING-DIODES  FUNCTIONALIZED BETA-DIKETONATE  AMORPHOUS POLYMER MATRICES  HIGHLY EFFICIENT  HEAVY-ATOM  AROMATIC-HYDROCARBONS  IRIDIUM COMPLEXES  DUAL-EMISSION  COCRYSTALS  1,4-DIIODOTETRAFLUOROBENZENE   Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016 Li, Zhendong; Liu, Wenjian 收藏  |  浏览/下载：6/0  |  提交时间：2017/12/04 EXCHANGE-CORRELATION POTENTIALS  EXCITATION-ENERGIES  CONFIGURATION-INTERACTION  MOLECULAR CALCULATIONS  PROGRAM PACKAGE  SIZE-CONSISTENT  MODEL  APPROXIMATION  SPECTRA  RADICALS