中国科学院机构知识库网格系统: 检索

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	Electronic properties and photofragmentation mechanisms of pyrosulfuryl chloride, ClSO2OSO2Cl 期刊论文 OAI收割 JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2016, 卷号: 324, 页码: 184-191 作者: 收藏 \| 浏览/下载：16/0 \| 提交时间：2017/01/23 Ionization potentials Photochemistry Coincidence techniques Radicals Synchrotron
	A DFT study on equilibrium geometries, stabilities, and electronic properties of small bimetallic Na-doped Au (n) (n=1-9) clusters: comparison with pure gold clusters 期刊论文 OAI收割 Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 1, 页码: 329-338 Y. F. Li; X. Y. Kuang; A. J. Mao; Y. Li; Y. R. Zhao 收藏 \| 浏览/下载：17/0 \| 提交时间：2013/02/05 Au-Na cluster Density functional theory Geometric configuration Ionization potentials ionization-potentials co oxidation sodium clusters silver photoionization molecules chemistry elements cs
	Sequence-dependent spin-selective tunneling along double-stranded DNA 期刊论文 OAI收割 PHYSICAL REVIEW B, 2012, 卷号: 86, 期号: 11 Guo, AM; Sun, QF 收藏 \| 浏览/下载：34/0 \| 提交时间：2013/09/24 NUCLEIC-ACID BASES IONIZATION-POTENTIALS PHOTOELECTRON-SPECTROSCOPY ELECTRONIC-PROPERTIES CHARGE-TRANSPORT HOLE TRANSFER THYMINE ADENINE GUANINE COLLOQUIUM
	Solution reaction design: electroaccepting and electrodonating powers of ions in solution 期刊论文 OAI收割 nanoscale research letters, 2012, 卷号: 7, 页码: 文献号:6 Li KY; Li M; Xue DF 收藏 \| 浏览/下载：22/0 \| 提交时间：2013/06/09 ELECTROPHILICITY INDEX IONIZATION-POTENTIALS FREE-ENERGY COMPLEXES MODEL
	Geometries, stabilities, and electronic properties of gold-magnesium (Au(n)Mg) bimetallic clusters 期刊论文 OAI收割 Physics Letters A, 2011, 卷号: 375, 期号: 18, 页码: 1877-1882 Y. F. Li; X. Y. Kuang; S. J. Wang; Y. Li; Y. R. Zhao 收藏 \| 浏览/下载：20/0 \| 提交时间：2012/04/13 Au(n)Mg cluster Density functional theory Relative stability Natural population analysis density-functional theory co oxidation ionization-potentials supported gold chemistry spectroscopy molecules elements sodium anions
	Density functional theory study on photophysical properties of the porphyrins derivatives with through-bond energy transfer characters 期刊论文 OAI收割 organic electronics, 2010, 卷号: 11, 期号: 6, 页码: 979-989 作者: Ren, Xue-Feng; Ren, Ai-Min; Feng, Ji-Kang; Zhou, Xin 收藏 \| 浏览/下载：22/0 \| 提交时间：2015/11/12 Through-bond energy transfer Ionization potentials Electron affinity Reorganization energy Exciton binding energy
	On the Electronic and Structural Properties of Tr-Niobium Oxide Clusters Nb3On- (n=3-8): Photoelectron Spectroscopy and Density Functional Calculations 期刊论文 OAI收割 Journal of Physical Chemistry A, 2010, 卷号: 114, 期号: 19, 页码: 5958-5966 W. J. Chen, H. J. Zhai, Y. F. Zhang, X. Huang and L. S. Wang 收藏 \| 浏览/下载：27/0 \| 提交时间：2012/11/02 transition-metal oxide ab-initio calculations basis-sets group-v ionization-potentials catalytic activation sequential oxidation correlation-energy primary alcohols nb(110) surface
	Density functional study of structural and electronic properties of bimetallic copper-gold clusters: comparison with pure and doped gold clusters 期刊论文 OAI收割 Physical Chemistry Chemical Physics, 2010, 卷号: 12, 期号: 19, 页码: 5156-5165 H. Q. Wang; X. Y. Kuang; H. F. Li 收藏 \| 浏览/下载：27/0 \| 提交时间：2012/04/13 effective core potentials ion mobility measurements coinage metal-clusters molecular calculations photoelectron-spectroscopy ionization-potentials nanostructures transition anions nanoparticles
	Probing the Electronic and Structural Properties of the Niobium Trimer Cluster and Its Mono- and Dioxides: Nb3On- and Nb3On (n=0-2) 期刊论文 OAI收割 Journal of Physical Chemistry A, 2009, 卷号: 113, 期号: 16, 页码: 3866-3875 H. J. Zhai, B. Wang, X. Huang and L. S. Wang 收藏 \| 浏览/下载：20/0 \| 提交时间：2012/11/06 transition-metal oxide density-functional calculations ab-initio calculations photoelectron-spectroscopy basis-sets ionization-potentials catalytic activation primary alcohols nb(110) surface iron clusters