机构

• 大连化学物理研究所 [29]
• 化学研究所 [11]
• 物理研究所 [8]
• 金属研究所 [8]
• 武汉物理与数学研究所 [5]
• 长春应用化学研究所 [3]
• 更多

采集方式

• OAI收割 [72]
• iSwitch采集 [2]

内容类型

• 期刊论文 [74]

发表日期

• 2019 [5]
• 2018 [1]
• 2017 [4]
• 2015 [2]
• 2014 [3]
• 2013 [2]
• 更多

学科主题

• 化学 [1]
• 半导体物理 [1]
• 物理化学 [1]

筛选

浏览/检索结果: 共74条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Nonequilibrium Heating/Cooling Effects in a Mach Number 10 Hydrogen-Fueled Scramjet 期刊论文  OAI收割 JOURNAL OF PROPULSION AND POWER, 2024, 页码: 17 作者:  Liu, Hang;  Yao, Wei;  Zhang, Xu;  Zhang, Xiaoyuan;  Liu, Jianwen   |  收藏  |  浏览/下载：17/0  |  提交时间：2024/03/11 Scramjet  Dynamic Zone Flamelet Model  High Enthalpy Shock Tunnel  Combustors  Improved Delayed Detached Eddy Simulation  Vibrational Energy  nonequilibrium heating  cooling effects  thermal nonequilibrium  chemical nonequilibrium  hydrogen   Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients 期刊论文  OAI收割 MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27 作者:  Hong, Qizhen;  Bartolomei, Massimiliano;  Coletti, Cecilia;  Lombardi, Andrea;  Sun, Quanhua   |  收藏  |  浏览/下载：44/0  |  提交时间：2022/03/05 vibrational energy transfer  inelastic scattering  potential energy surface  rate coefficients database  quantum-classical nuclear dynamics  quasi-classical trajectories   Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8 作者:  Xu, Lei;  Zhang, Tianjie;  Yang, Dapeng;  Zhang, Qiaoli   |  收藏  |  浏览/下载：64/0  |  提交时间：2019/12/02 charge redistribution  ESDPT  intramolecular hydrogen bonds  IR vibrational spectra  potential energy curves   A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7 作者:  Yang, Dapeng;  Song, Xiaoyan;  Zhang, Tianjie;  Gao, Haiyan   |  收藏  |  浏览/下载：60/0  |  提交时间：2019/12/02 charge density difference  dual hydrogen bonds  electronic densities  infrared vibrational spectra  potential energy surfaces   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164 作者:  Song, Xiaoyan;  Zhang, Tianjie;  Zhang, Qiaoli;  Yang, Dapeng;  Yang, Guang   |  收藏  |  浏览/下载：62/0  |  提交时间：2019/06/20 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation 期刊论文  iSwitch采集 Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164 作者:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：77/0  |  提交时间：2019/05/08 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810 作者:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L   |  收藏  |  浏览/下载：46/0  |  提交时间：2020/10/16 DENSITY-FUNCTIONAL CALCULATIONS  2ND-ORDER PERTURBATION-THEORY  COUPLED-CLUSTER THEORY  MATRIX-ISOLATION  OXYGEN DIFLUORIDE  BENCHMARK CALCULATIONS  ELECTRONIC-STRUCTURE  VIBRATIONAL-SPECTRA  TRIPLE EXCITATIONS  CORRELATION-ENERGY   Theoretical studies for the infrared spectra of Ar-CO2 complex: Fundamental and combination bands 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 204, 页码: 308-316 作者:  Zhao, Aiqing;  Shi, Lipeng;  Tian, Yanshan;  Zheng, Limin;  Zheng, Rui   |  收藏  |  浏览/下载：34/0  |  提交时间：2018/11/05 Ar-co2 Complex  Potential Energy Surfaces  Intermolecular Vibrational Modes  Fundamental Band  Combination Bands   A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11 作者:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng 收藏  |  浏览/下载：41/0  |  提交时间：2017/12/20 AIM  ESIPT  IR vibrational spectra  MOs  potential energy curves   A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11 作者:  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Yang, Dapeng 收藏  |  浏览/下载：19/0  |  提交时间：2017/12/20 AIM  ESIPT  IR vibrational spectra  MOs  potential energy curves