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CAS IR Grid
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大连化学物理研究所 [9]
化学研究所 [6]
金属研究所 [3]
长春光学精密机械与物... [1]
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期刊论文 [18]
会议论文 [1]
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2013 [2]
2012 [1]
2011 [3]
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Translational, vibrational, rotational enhancements and alignments of reactions H+ClF (upsilon=0 5, j=0,3,6,9) -> HCl+F and HF+Cl, at E-rel=0.5-20 kcal/mol
期刊论文
OAI收割
chinese physics b, 2013, 卷号: 22, 期号: 10
作者:
收藏
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浏览/下载:38/0
  |  
提交时间:2015/11/09
quasi-classical trajectory calculation
integral cross section
alignment
TRV enhancement
STEREODYNAMICS, MASS EFFECT AND DOCKING FROM O(P-3) + HD -> OH plus D AT E-col=0.4-1.0 eV AND O(P-3)+HD -> OD plus H AT E-col=0.5-1.0 eV
期刊论文
OAI收割
journal of theoretical & computational chemistry, 2013, 卷号: 12, 期号: 1
作者:
Chao (Wu), Victor Wei-Keh
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2015/11/09
Quasiclassical trajectory (QCT) calculation
stereodynamics
alignment
rotational angular momentum
polarization-dependent differential cross section (PDDCS)
O plus HD reaction
mass effect
docking
drug modification
drug delivery
Influence of Isotope Effects on Product Polarizations of N(D-2)+D-2, N(D-2)+H-2 and N(D-2) plus HD Reactive Systems
期刊论文
OAI收割
chemical research in chinese universities, 2012, 卷号: 28, 期号: 5, 页码: 897-902
作者:
Nie Shan-shan
;
Chu Tian-shu
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2015/11/13
Isotope effect
Product polarization
Quasi-classical trajectory calculation
Potential energy surface
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD4 and CH4
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:
Lu, Peng
;
Kuang, Xiao-Yu
;
Li, Hui-Fang
;
Wang, Huai-Qian
  |  
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2021/02/02
barrier height
electronic structure method
direct classical trajectory calculation
MP2/cc-pVDZ
BOMD
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD4 and CH4
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:
Lu, Peng
;
Kuang, Xiao-Yu
;
Li, Hui-Fang
;
Wang, Huai-Qian
  |  
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2021/02/02
barrier height
electronic structure method
direct classical trajectory calculation
MP2/cc-pVDZ
BOMD
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
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浏览/下载:48/0
  |  
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
Modulation transfer function in seeker camera limits resulting from missile flutter caused by aerodynamic force (EI CONFERENCE)
会议论文
OAI收割
2010 2nd International Conference on Industrial Mechatronics and Automation, ICIMA 2010, May 30, 2010 - May 31, 2010, Wuhan, China
作者:
Zhang X.
;
Zhang X.
;
Zhang X.
收藏
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浏览/下载:49/0
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提交时间:2013/03/25
The imaging quality of seeker in flight mode has been evaluated through analyzing the effects of missile flutter on optical modulation transfer function (MTF) of the optical system. Firstly the data of transverse vibration has been processed to eliminate the trend term caused by the trajectory
then obtained the displacement with two times trapezoidal integration. For the side rotation
the high frequency noise interference in the data has been filtered by using five-point moving average method. Took this model as the quivering rule between the object and the image
and then analyzed the effects of the transverse vibration and the side rotation on imaging quality through MTF. By calculation
the r.m.s value of the image motion caused by missile transverse vibration is 0.026mm
and the side rotation angle is 0.0044 . Through the establishment of two modulation transfer functions (MTF) of image random vibration and linear vibration
the results show that the image quality had declined
and the effect of transverse vibration on image quality is obvious. Through improving the rigidity of the missile and selection of small focal length optical system and shorten the time of exposure can improve the imaging quality of the seeker. 2010 IEEE.
Product polarization and state distributions of the Cl+HD reaction
期刊论文
OAI收割
chinese journal of chemical physics, 2002, 卷号: 15, 期号: 4, 页码: 247-254
作者:
Chen, MD
;
Tang, BY
;
Han, KL
;
Lou, NQ
收藏
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浏览/下载:54/0
  |  
提交时间:2015/11/10
quasiclassical trajectory calculation
potential energy surface
product rotational alignment
Rotational alignment of the reaction Sr plus HF as a function of collision energies
期刊论文
OAI收割
acta physico-chimica sinica, 2001, 卷号: 17, 期号: 6, 页码: 521-525
作者:
Cai, MQ
收藏
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浏览/下载:69/0
  |  
提交时间:2015/11/10
trajectory calculation
LEPS potential energy surface
collision energies
rotational alignment
Quasiclassical trajectory study of reaction of chlorine substituting the primary hydrogen of propane
期刊论文
OAI收割
ACTA PHYSICO-CHIMICA SINICA, 2001, 卷号: 17, 期号: 2, 页码: 119-122
作者:
Zhang, TL
;
Yan, JM
;
Kong, FA
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收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/04/09
Quasiclassical Trajectory Calculation
Propane
Primary Hydrogen
Collision Complex