位置：成果数据库 > 期刊 > 期刊详情页
DFT study on activation of carbon dioxide by (tBuArN)(3)M N (M=Nb, V, Ta): the electronic structure
  • ISSN号：1477-9226
  • 期刊名称：Dalton Transactions
  • 时间：2011
  • 页码：3576-3583
  • 相关项目：PYL类蛋白质对脱落酸的识别机制及其对信号传递影响的分子动力学模拟
作者： Ren, Xingye|Xiao, Chongfa|Wang, Hongming|
同期刊论文项目
PYL类蛋白质对脱落酸的识别机制及其对信号传递影响的分子动力学模拟
期刊论文 35 会议论文 6
同项目期刊论文
Oxidation Ability of CO2 for the Transformation of Cinnamic Aldehydes to Acids Catalyzed by N-Hetero
Synthesis of all-deuterated tris(2-phenylpyridine) iridium for highly stable electrophosphorescence:
A Theoretical Investigation Into the 1,3-Dipolar Cycloaddition of Azidotrimethylsilane Onto Nanograp
A DFT study of styrene polymerization using neutral (2Z,4E)-4-(methylimino)pent-2-en-2-ol nickel(II)
Theoretical insights into copper(I)-NHC-catalyzed C-H carboxylation of terminal alkynes with CO2: th
Spectroscopic and Molecular Modeling Studies of the Inclusion Complex of TNBAB with beta-cyclodextri
The regioselectivity and synthetic mechanism of 1,2-benzimidazole squaraines: combined experimental
FIRST-PRINCIPLES STUDY OF OXYGEN-VACANCY Cu2O (111) SURFACE
The reduction of carbon dioxide in iron biocatalyst catalytic hydrogenation reaction: a theoretical
Adsorption of CO2 on Cu2O (111) oxygen-vacancy surface: First-principles study
Synthesis of 1,3-Dihydrobenzo[c]thiophene-imines via Tandem Reactions of o-(1-Alkynyl)benzamides and
A novel ditopic ligand derived from 8-hydroxyquinoline: Synthesis, characterisation, and its coordin
Nickel(II) Complexes with Three-Dimensional Geometry alpha-Diimine Ligands: Synthesis and Catalytic
Density functional theory study the reduction of carbon dioxide by terminal Ta-H complexes
Recent Advances in Carbon Dioxide Capture, Fixation, and Activation by using N- Heterocyclic Carbene
Photophysical properties of a hydrazone-based switch: A TDDFT study and comparison
The adsorption of CO2, H2CO3, HCO3-and CO32-on Cu2O (111) surface: First-principles study
The reaction mechanisms of boron amidinate and small molecules: a density function theory study
Donor-Acceptor-Integrated Conjugated Polymers Based on Carbazole[3,4-c:5,6-c] bis[1,2,5] thiadiazole
DFT Study of the Addition-Cyclization-Isomerization Reaction between Propargyl Cyanamides and Thiol
Modulation of the molecular geometry of carbazolebis(thiadiazole)-based conjugated polymers for phot
Secondary Structure Analysis of Native Cellulose by Molecular Dynamics Simulations with Coarse-Grain
A Density Functional Theory Study of the Enantioselective Reduction of Prochiral Ketones Promoted by
Understanding the mechanism of poly(3-hexylthiophene)-b-poly(4-vinylpyridine) as a nanostructuring c