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A short review on heterojunction photocatalysts: Carrier transfer behavior and photocatalytic mechanisms
期刊论文
MATERIALS RESEARCH BULLETIN, 2021, 卷号: 142
作者:
Yang, Hua
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  |  
浏览/下载:7/0
  |  
提交时间:2021/10/14
Heterojunction photocatalyst
Band energy structure
Potential barrier
Photo-excited carrier transfer
Photocatalytic mechanism
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
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  |  
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
Study of the dynamical potential barriers in heavy ion collisions
期刊论文
NUCLEAR PHYSICS A, 2013, 卷号: 915, 页码: 90-105
作者:
Zhu, Long
;
Su, Jun
;
Xie, Wen-Jie
;
Zhang, Feng-Shou
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  |  
浏览/下载:20/0
  |  
提交时间:2018/07/16
Potential barrier
Shell correction
Isospin effects
Incident energy dependence
Orientation effects
Theoretical study on fusion dynamics and evaporation residue cross sections for superheavy elements
期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2013, 卷号: 24, 期号: 5, 页码: 50520
作者:
Zhou, SG
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  |  
浏览/下载:27/0
  |  
提交时间:2014/04/25
HEAVY-ION COLLISIONS
DINUCLEAR-SYSTEM MODEL
QUASI-FISSION
POTENTIAL-ENERGY
MASSIVE NUCLEI
COMPETITION
BARRIER
DEFORMATIONS
RELAXATION
MASSES
The degree of proton transfer for XH center dot center dot center dot NH3 (X = F, Br, HS, and HCOO) heterodimers upon attachment of an excess electron
期刊论文
computational and theoretical chemistry, 2012, 卷号: 983, 页码: 95-100
作者:
Dong, Lihua
;
Wang, Jinhu
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浏览/下载:22/0
  |  
提交时间:2013/03/15
Excess electron
Barrier-free proton transfer (BFPT)
Vertical detachment energy (VDE)
Potential energy surfaces (PESs)
The degree of proton transfer for XH???NH_3 (X = F, Br, HS, and HCOO) heterodimers upon attachment of an excess electron
期刊论文
Computational & theoretical chemistry, 2012, 页码: 95-100
作者:
Lihua Dong
;
Jinhu Wang
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  |  
浏览/下载:10/0
  |  
提交时间:2019/12/23
Excess electron
Barrier-free proton transfer (BFPT)
Vertical detachment energy (VDE)
Potential energy surfaces (PESs)
The degree of proton transfer for XHNH 3 (X=F, Br, HS, and HCOO) heterodimers upon attachment of an excess electron
期刊论文
Computational and Theoretical Chemistry, 2012, 卷号: 983, 页码: 95-100
作者:
Dong L.
;
Wang J.
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  |  
浏览/下载:8/0
  |  
提交时间:2019/12/23
Barrier-free proton transfer (BFPT)
Excess electron
Potential energy surfaces (PESs)
Vertical detachment energy (VDE)
The degree of proton transfer for XH center dot center dot center dot NH3 (X = F, Br, HS, and HCOO) heterodimers upon attachment of an excess electron
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 卷号: 983, 页码: 95-100
作者:
Dong, Lihua
;
Wang, Jinhu
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
Excess electron
Barrier-free proton transfer (BFPT)
Vertical
detachment energy (VDE)
Potential energy surfaces (PESs)
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD(4) and CH(4)
期刊论文
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
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  |  
浏览/下载:15/0
  |  
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
Lsomerization of HNO to HON in the singlet state assisted by amino acid residues and/or water molecules
期刊论文
International Journal of Quantum Chemistry, 2008, 卷号: 108, 期号: 7, 页码: 1246-1256
作者:
Shi JY
;
Li P
;
Bu YX
;
Wang WH
;
Mou ZX
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/26
HNO/HON isomerization
amino acid residues
proton transfer (PT)
BARRIER HYDROGEN-BONDS
DENSITY-FUNCTIONAL THEORY
POTENTIAL-ENERGY SURFACES
AB-INITIO
NITRIC-OXIDE
SUPEROXIDE-DISMUTASE
NITROXYL ANION
ALDEHYDE DEHYDROGENASE
NO
CHEMISTRY
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