位置：成果数据库 > 期刊 > 期刊详情页
Theoretical Study of Syngas Hydrogenation to Methanol on the Polar Zn-Terminated ZnO(0001) Surface
  • ISSN号：1932-7447
  • 期刊名称：Journal of Physical Chemistry C
  • 时间：2012.8.8
  • 页码：15952-15961
  • 相关项目：锕系化合物的结构化学研究
作者： Zhao, Ya-Fan|Rousseau, Roger|Li, Jun|Mei, Donghai|
同期刊论文项目
锕系化合物的结构化学研究
期刊论文 54
同项目期刊论文
Is rhodium tetroxide in the formal oxidation state VIII stable ? a quantum chemical and matrix isola
Probing the electronic structure and chemical bonding of the “ staple ” motifs of thiola
Chemistry on Single Atoms : Spontaneous Hydrogen Production from Reactions of Transition ‐ Metal Ato
Theoretical studies on the complexation of uranyl with typical carboxylate and amidoximate ligands
On Two Different Objectives of the Concepts of Ionic Radii
Experimental and Theoretical Studies on the Fragmentation of Gas - Phase Uranyl–, Neptunyl&nda
Theoretical Studies on the Photoelectron and Absorption Spectra of MnO4 – and TcO4–
A Joint Photoelectron Spectroscopy and Theoretical Study on the Electronic Structure of UCl5? and UC
Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3–
A Tetrapositive Metal Ion in the Gas Phase : Thorium ( IV ) Coordinated by Neutral Tridentate Ligand
A Water - Promoted Mechanism of Alcohol Oxidation on Au ( 111 ) Surface : Understanding toward the C
Deduction of Bond Length Changes of Symmetric Molecules from Experimental Vibrational Progressions ,
Matrix Isolation Spectroscopic and Theoretical Study of Water Adsorption and Hydrolysis on Molecular
Formation and Characterization of Two Interconvertible Side - On and End - On Bonded Beryllium Ozoni
The electronic structure and chemical bonding in gold dihydride: AuH 2- and AuH2
Oxidation States, Geometries, and Electronic Structures of Plutonium Tetroxide PuO4 Isomers: Is Octa
Titanium Oxide Complexes with Dinitrogen . Formation and Characterization of the Side - On and End -
Electron Affinities of the Early Lanthanide Monoxide Molecules
Photoelectron Imaging of Ag –( H2O ) x and AgOH –( H2O ) y ( x = 1 , 2 , y = 0 – 4
Geometries , electronic structures , and excited states of UN2, NUO+, and UO 2 2+: a combined CCSD (
Adsorption-induced structural changes of gold cations from two- to three-dimensions.
Unusual selectivity of gold catalysts for hydrogenation of 1 , 3 - butadiene toward cis - 2 - butene
Advances of computational actinoid chemistry in China
Planar Hexagonal B36 As A Potential Basis for Extended Single-Atom Layer Boron Sheets
Matrix Isolation Infrared Spectroscopic and Theoretical Study of the Reactions of Tantalum Oxide Mol
Photoelectron Imaging of AgOCH3 - and Ag-(CH3OH) x (x= 1, 2)
Excited States and Absorption Spectra of UF6 : A RASPT2 Theoretical Study with Spin – Orbit Co
Matrix Infrared Spectroscopic and Computational Investigations of the Lanthanide ? Methylene Complex
Aurophilic attractions between a closed - shell molecule and a gold cluster
Chemisorption - Induced 2D – 3D – 2D Structural Transitions in Gold Heptamer :(CO) n Au7
The mixed cyanide halide Au ( i ) complexes ,?( X = F , Cl , Br , and I ): evolution from ionic to c
Theoretical investigations of the catalytic role of water in propene epoxidation on gold nanocluster
Theoretical Investigations of Geometry , Electronic Structure and Stability of UO6 : Octahedral Uran
Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the
Photoelectron Imaging and Spectroscopy of MI2 ?( M = Cs , Cu , Au ): Evolution from Ionic to Covalen
Vibrationally resolved photoelectron spectroscopy of di-gold carbonyl clusters Au2(CO)n- (n = 1-3):
Observation and investigation of the uranyl tetrafluoride dianion (UO 2F42-) and its solvation compl
Probing the nature of gold-carbon bonding in gold-alkynyl complexes.
Theoretical Study of the Luminescent States and Electronic Spectra of UO2Cl2 in an Argon Matrix
Photoelectron spectroscopy and theoretical studies of UF5 - and UF6-
Quadruple boding of carbon in terminal carbides
光电子成像研究AgOCH3-和Ag-（CH30H）x（x=1，2）
镧系一氧化物LnO（Ln=La, Ce,Pr,Nd）的电子亲和能