位置：成果数据库 > 期刊 > 期刊详情页
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insig
  • 期刊名称：Phys. Chem. Chem. Phys.
  • 时间：2012.4.8
  • 页码：6003-6012
  • 相关项目：溶液及核酸环境中分子光化学反应机理的理论计算模拟和Raman光谱研究
作者： Xin Zhang|Xiaojia Guo|Yue Chen|Yanhui Tang|Ming Lei|Wei-Hai Fang|
同期刊论文项目
溶液及核酸环境中分子光化学反应机理的理论计算模拟和Raman光谱研究
期刊论文 48
同项目期刊论文
Phosphorescent mechanism for single-dopant white OLED of FPt: electronic structure and electron exch
4-硝基咪唑A-带激发态结构动力学
Vibronic coupling and excited-state reaction dynamics of pyrazine in 1 1B2u (1pp*) state by resonanc
Effects of Antimicrobial Peptide Revealed by Simulations: Translocation, Pore Formation, Membrane Co
Probing Highly Efficient Photoisomerization of a Bridged Azobenzene by a Combination of CASPT2//CASS
Metal centre effects on HNO binding in porphyrins and the electronic origin: metal's electro
Photodecarbonylation Mechanism of Cyclopropenone in the Gas Phase: Electronic Structure Calculation
Understanding Bacterial Bioluminescence: A Theoretical Study of the Entire Process, from Reduced Fla
Theoretical insight towards the photo-dissociation dynamics of O-3-H2O complex: Deep understanding t
Photo-induced isomerization of ethylene-bridged azobenzene explored by ab initio based non-adiabatic
N-甲基吡咯-2-甲醛激发态结构动力学及其溶剂效应的共振拉曼光谱和密度泛函理论研究
Calculations of Energy Transfer Rate Based on the Electronic Structure Theory
Excited State Structures and Decay Dynamics of 1,3-Dimethyluracils in Solutions: Resonance Raman and
ON-OFF Mechanism of a Fluorescent Sensor for the Detection of Zn(II), Cd(II), and Cu(II)Transition M
The combined CASPT2 and CASSCF studies on photolysis of 3-thienyldiazomethane and subsequent reactio
Concerted Asynchronous Hula-Twist Photoisomerization in the S65T/H148D Mutant of Green Fluorescent P
Structural dynamics of phenylisothiocyanate in the light-absorbing excited states: Resonance Raman a
Photoinduced Proton Transfer and Isomerization in a Hydrogen-Bonded Aromatic Azo Compound: A CASPT2/
Mechanism of Water Oxidation to Molecular Oxygen with Osmocene as Photocatalyst: A Theoretical Study
Theoretical investigation of astacin proteolysis
Water-Assisted Self-Photoredox of 3-(Hydroxymethyl)benzophenone: An Unusual Photochemistry Reaction
Photoinduced Gold(I)-Gold(I) Chemical Bonding in Dicyanoaurate Oligomers
Ab Initio Trajectory Surface-Hopping Study on Ultrafast Deactivation Process of Thiophene
Repair of DNA Dewar Photoproduct to (6-4) Photoproduct in (6-4) Photolyase
Adiabatic and Nonadiabatic Bond Cleavages in Norrish Type I Reaction
Intrinsic Property of Flavin Mononucleotide Controls its Optical Spectra in Three Redox States
State-specific heavy-atom effect on intersystem crossing processes in 2-thiothymine: A potential pho
Structural dynamics of 4-cyanobenzaldehyde in S-2(pi pi*) state
Decay dynamics of alpha,beta-carboxylic methyl esters (CH3OCOCH:CHR) in the lower-lying excited stat
Vibronic-Coupling and Excited State Reaction Dynamics of Pyrazine in 1B2u State by Resonance Raman S
pH- and Wavelength-Dependent Photodecarboxylation of Ketoprofen
Exploring Concerted Effects of Base Pairing and Stacking on the Excited-State Nature of DNA Oligonuc
Synchronous concerted multiple-body photodissociation of oxalyl chloride explored by ab initio-based
Azomethine ylide-formation from N-phthaloylglycine by photoinduced decarboxylation: A theoretical st
6-N,N-二甲基腺嘌呤激发态结构动力学的共振拉曼光谱
基于电子结构理论的能量转移速率计算
1-甲基胸腺嘧啶A-带结构动力学
2-硫代嘧啶酮和2-硫代吡啶酮在B-吸收带中的动态结构
γ-巴豆酰内酯激发态动力学的共振拉曼光谱和完全活性空间自洽场（CASSCF）计算研究
2-乙酰基-1-甲基吡咯激发态结构动力学及溶剂效应的共振拉曼光谱和密度泛函理论计算
3-二甲氨基-2-甲基丙烯醛S2激发态结构动力学