中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
大连化学物理研究所 [3]
金属研究所 [2]
过程工程研究所 [1]
采集方式
OAI收割 [6]
内容类型
期刊论文 [6]
发表日期
2021 [1]
2016 [1]
2012 [1]
2011 [1]
2004 [2]
学科主题
Chemistry [1]
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Photoinduced Release of Volatile Organic Compounds from Fatty Alcohols at the Air-Water Interface: The Role of Singlet Oxygen Photosensitized by a Carbonyl Group
期刊论文
OAI收割
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021, 卷号: 55, 期号: 13, 页码: 8683-8690
作者:
Lin, Jingyi
;
Dai, Qin
;
Zhao, He
;
Cao, Hongbin
;
Wang, Tianyu
  |  
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2021/08/31
air-water interface
photochemical reaction
singlet oxygen
hydrogen abstraction
volatile organic compounds
fatty alcohol
electron spin resonance
How does the extent of substitution of methane with chlorine influence the mechanism and kinetics of the reactions between chloromethanes and atomic chlorine
期刊论文
OAI收割
KINETICS AND CATALYSIS, 2016, 卷号: 57, 期号: 2, 页码: 145-153
Yu, A. Y.
;
Hu, Q. M.
;
Yang, R.
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2016/08/22
rate coefficients
variational transition state theory
hydrogen abstraction
reaction pathway
D+C(CH3)(4) -> HD (v ', j ')+C(CH3)(3)CH2: possible concerted flow of vibration energy into translation
期刊论文
OAI收割
molecular physics, 2012, 卷号: 110, 期号: 15-16, 页码: 1713-1720
作者:
Jankunas, Justin
;
Bartlett, Nate C. -M.
;
Zare, Richard N.
;
Liu, Lan
;
Xu, Xin
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2015/11/12
Hydrogen atom abstraction
hydrocarbon reaction dynamics
concerted energy flow
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD(4) and CH(4)
期刊论文
OAI收割
International Journal of Quantum Chemistry, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
P. Lu
;
X. Y. Kuang
;
H. F. Li
;
H. Q. Wang
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2012/04/13
barrier height
electronic structure method
direct classical trajectory
calculation
MP2/cc-pVDZ
BOMD
initio classical trajectories
abstraction reaction dynamics
potential-energy surfaces
hessian-based integrators
born-oppenheimer
surface
photodissociation
acetaldehyde
excitation
hydrogen
Direct ab initio dynamics studies of hydrogen abstraction reaction: Cl+CH3CN -> HCl+CH2CN
期刊论文
OAI收割
journal of molecular structure-theochem, 2004, 卷号: 677, 期号: 1-3, 页码: 67-71
作者:
Pei, KM
;
Li, HY
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2015/11/10
ab initio calculations
hydrogen abstraction reaction
direct dynamic methods
Direct ab initio dynamics studies of hydrogen abstraction reaction: F+CH3CN -> HF+CH2CN
期刊论文
OAI收割
journal of molecular structure-theochem, 2004, 卷号: 676, 期号: 1-3, 页码: 105-108
作者:
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2015/11/10
ab initio
hydrogen abstraction reaction
direct dynamics
rate constant