搜索结果: 1-15 共查到“化学 clusters”相关记录21条 . 查询时间(0.118 秒)
Organizational and Institutional Genesis: The Emergence of High-Tech Clusters in the Life Sciences
Organizational and Institutional Genesis High-Tech Clusters
2015/7/3
Most research on the emergence of high-tech clusters samples on successful cases,
and works backwards to trace a narrative, often highlighting the role of specific
individuals or groups. Our appro...
Simulated Annealing Study on Structures and Energetics of CO2 in Argon Clusters
Molecular structure van der Waals cluster Simulated annealing algorithm
2012/4/5
The minimum-energy configurations and energetic properties of the ArN-CO2 (N=1-19) van der Waals clusters were investigated by a simulated annealing algorithm. A newly de-veloped Ar-CO2 potential ener...
Classification of VxOyq Clusters by △=2y+q-5x
Vanadium oxide cluster Ground state structure Density functional calcula-tion Oxidation index Bonding character
2012/4/5
Vanadium oxide clusters VxOyq (x≤8, q=0,±1) are classified according to the oxidation index (△=2y+q-5x) of each cluster. Density functional calculations indicate that clusters with the same oxidation ...
Photodissociation and Density Functional Calculations of Small VmOn+ Clusters
Mass spectrometry Mass-selection Photodissociation Vanadium oxide cluster
2012/4/5
Oxygen-poor vanadium oxide clusters, V2On+ (n=1, 2), V3On+ (n=1, 2, 3), and V4O3+, were produced by laser vaporization and were mass-selected and photodissociated with 532 and 266 nm photons. The geom...
A density functional theory study of oxidation of benzene to phenol by N2O on Fe- and Co-ZSM-5 clusters
DFT benzene oxidation phenol N2O Fe-ZSM-5 Co-ZSM-5
2010/4/8
Density functional theory (DFT) calculations were carried out in the study of oxidation of benzene to phenol by N2O on relaxed [(SiH3)4AlO4M] (where M=Fe, Co) cluster models representing Fe- and Co-ZS...
Enantioseparation of Novel Chiral Tetrahedral Clusters on a Chiral Stationary Phase (CSP) by High Performance Liquid Chromatography
high performance liquid chromatography chiral stationary phase chiral tetrahedral clusters enantioseparation
2007/12/13
Enantioseparation of Novel Chiral Tetrahedral Clusters on a Chiral Stationary Phase (CSP) by High Performance Liquid Chromatography。
Activation of Light Alkanes on Pure and Fe and Al Doped Silica Clusters: A Density Functional and ONIOM Study
C-H bond activation methane ethane, silica Fe doping Al doping density functional DFT ONIOM
2010/4/16
C-H bond activation was studied by use of density functional theory (DFT) and ONIOM calculations as implemented in Gaussian 2003 at the B3LYP level utilising 6-31G* as the basis set for Si, Al, and Fe...
氟化钾团簇的相变、成核和重结晶的分子动力学模拟（Molecular Dynamics Simulation of Phase Transition， Nucleation， Recrystalization of KF Clusters）
分子动力学模拟 相变 成核 重结晶 氟化钾团簇
2010/8/24
我们利用Born-Mayer-Huggins相互作用势函数对(KF)N(N=108，256，500和864)团簇进行了分子动力学(MD)模拟。为了避免周期性边界条件对相变、成核和重结晶的干扰作用，对体系采用了自由边界。基于MD模拟结果，对团簇的熔化温度、熔化焓、扩散系数、成核速率、固液界面自由能、临界核大小等进行了计算和讨论。在对(KF)864双晶团簇的热退火模拟中，观察到了固态的重结晶和晶粒的生...
Heterothiometallic polymeric clusters
2007/7/28
专著信息
书名
Heterothiometallic polymeric clusters
语种
英文
撰写或编译
作者
Niu,Y. Y.,Zheng,H. G.,Hou,H. W.,Xin,X. Q
第一作者单位
出版社
Coord. Chem. Rev., 2004, 248, 169-183
出版地
出版日期
2004年
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日
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开本
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书名
Theoretical identification of carbon clusters C20: prevalence of the monocyclic isomer and existences of the smallest fullerene and bowl isomer
语种
英文
撰写或编译
作者
Jing Lu,Suyong Re,Yoongkee Choe,S...
专著信息
书名
Metal-doped germanium clusters MGens at the sizes of n = 12 and 10: divergence of growth patterns from the MSin clusters
语种
英文
撰写或编译
作者
Jing Lu a,Shigeru Nagase
第一作者单位
出版社
Chem. Phys. Lett. 37...
专著信息
书名
Density functional theory study of the B6, B6, B6- and B62-, clusters.
语种
英文
撰写或编译
作者
J. Ma,Z. H. Li,K. N. Fan,M. F. Zhou
第一作者单位
出版社
Chemical Physics Letters, 372, 708-716(2003)
出版地
出版日期
2003年...
Supported metal clusters
2007/7/28
专著信息
书名
Supported metal clusters
语种
英文
撰写或编译
作者
Wang Chuan-yiLiu Chun-yan
第一作者单位
出版社
“Encyclopedia of Surface and Colloid Science”,4-6 Volumes, edited by Dr. Arthur
出版地
出版日期
2002年
6月
日
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A computational investigation of the Ni-doped Six (x=1-8) clusters by a density functional method
2007/7/28
期刊信息
篇名
A computational investigation of the Ni-doped Six (x=1-8) clusters by a density functional method
语种
英文
撰写或编译
作者
Z. Y. Ren,F. Li,P. Guo,J G Han
第一作者单位
刊物名称
J. Mol. Struct. (Theochem).
页面
(2005...
期刊信息
篇名
A density functional investigation?of AgSin (N=1-5) clusters,
语种
英文
撰写或编译
作者
P F Zhang,J G Han,Q. R. Pu
第一作者单位
刊物名称
J. Mol. Struct. (Theochem)
页面
635, 25-35(2003).
出版日期
2003年
月
日
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