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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 [4]
过程工程研究所 [3]
兰州化学物理研究所 [3]
中国科学院大学 [2]
物理研究所 [1]
南海海洋研究所 [1]
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OAI收割 [18]
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期刊论文 [19]
学位论文 [1]
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2022 [1]
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Physics [2]
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Molecular insight into the effect of ion structure and interface behavior on the ammonia absorption by ionic liquids
期刊论文
OAI收割
AICHE JOURNAL, 2022, 页码: 12
作者:
Zhao, Tongtong
;
Zeng, Shaojuan
;
Li, Yao
;
Bai, Yinge
;
Bai, Lu
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2023/02/24
hydrogen bond
interface effect
ionic liquids
molecular dynamics simulation
NH3 capture
Interaction and Mechanism between Imidazolium Ionic Liquids and the Zwitterionic Amino Acid Tyr: a DFT Study
期刊论文
OAI收割
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 10
作者:
Wu, Zhiwei
;
Ding, Weilu
;
Zhang, Yaqin
;
Wang, Yanlei
;
He, Hongyan
  |  
收藏
  |  
浏览/下载:73/0
  |  
提交时间:2021/08/31
Ionic liquids
Zwitterionic amino acid
Interaction and mechanism
Hydrogen bond effect
Van der Weals effect
Thiourea-Based Bifunctional Ionic Liquids as Highly Efficient Catalysts for the Cycloaddition of CO2 to Epoxides
期刊论文
OAI收割
CATALYSIS LETTERS, 2017, 卷号: 147, 期号: 7, 页码: 1654-1664
作者:
Xu, Fei
;
Cheng, Weiguo
;
Yao, Xiaoqian
;
Sun, Jian
;
Sun, Wei
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2017/07/17
Co2 Utilization
Ionic Liquids
Cycloaddition
Thiourea
Hydrogen Bond
Synergetic Effect
Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C
期刊论文
OAI收割
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2016, 卷号: 330, 页码: 1-7
作者:
Liu, Yan
;
Yang, Songqiu
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/06/20
Uracil
Derivatives
Conjugation Effect
Intramolecular Hydrogen Bond
Excited-state Lifetimes
Conical Intersections
Excited-state deactivation of 5-vinyluracil: effects of pi-pi conjugation and intramolecular hydrogen bond c-h center dot center dot center dot o=c
期刊论文
iSwitch采集
Journal of photochemistry and photobiology a-chemistry, 2016, 卷号: 330, 页码: 1-7
作者:
Liu, Yan
;
Yang, Songqiu
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2019/05/09
Uracil
Derivatives
Conjugation effect
Intramolecular hydrogen bond
Excited-state lifetimes
Conical intersections
Solvent effect on hydrogen-bonded thin film of poly(vinylpyrrolidone) and poly(acrylic acid) prepared by layer-by-layer assembly
期刊论文
OAI收割
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2015, 卷号: 471, 页码: 11-18
作者:
Ma, Songmei
;
Yuan, Qian
;
Zhang, Xuejian
;
Yang, Shuguang
;
Xu, Jian
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2015/11/03
Solvent effect
Hydrogen bond
Layer-by-layer assembly
Polymer complex
The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme
期刊论文
OAI收割
theoretical chemistry accounts, 2014, 卷号: 133, 期号: 6
作者:
Zhang, Xiaoqian
;
Liu, Yufang
;
Wang, Yong
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2015/11/17
Cytochrome P450 enzyme
Hydroxylation
Density functional theoretical calculation
Hydrogen bond
Kinetic isotope effect
Excited state intramolecular proton transfer and substituent effect of 10-hydroxybenzo[h]quinoline: A time-dependent density functional theory study
期刊论文
OAI收割
computational and theoretical chemistry, 2014, 卷号: 1034, 页码: 80-84
作者:
Chai, Shuo
;
Cong, Shu-Lin
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/11/17
Excited state intramolecular proton transfer
Hydrogen bond
Substituent effect
Time-dependent density functional theory
Damage mechanism of hydroxyl radicals toward adenine-thymine base pair
期刊论文
OAI收割
CHINESE PHYSICS B, 2014, 卷号: 23
作者:
Tan Rong-Ri
;
Wang Dong-Qi
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2018/07/05
Dna Damage
Hydrogen Bond Effect
Hydroxylation
Dehydrogenation
Damage mechanism of hydroxyl radicals toward adenine-thymine base pair
期刊论文
OAI收割
CHINESE PHYSICS B, 2014, 卷号: 23, 期号: 2, 页码: 27103
作者:
Tan, RR
;
王东琪;Wang, DQ
;
Zhang, FS
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2016/04/08
DNA damage
hydrogen bond effect
hydroxylation
dehydrogenation