dissociation相关论文
Assessing Density Functionals for Describing Methane Dissociative Chemisorption on Pt(110)-(2 × 1) S
In this work,we explore the suitabil-ity of several density functionals with the generalized gradient approxima-tion (GG......
Bio-ceramsite technology is one of the most effective technologies in the pretreatment of drinking water. In this work, ......
Investigation of Adsorption and Dissociation of the O2 Molecules on W(111) Surface:A Density Functio
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In practical Fischer-Tropsch synthesis,the initial catalyst precursor(α-Fe2O3)is firstly reduced to magnetite(Fe3O4)and......
As sessile organisms,plants must adapt to variations in the environment.Environmental stress triggers various responses,......
利用发射光谱的方法，分析了大气压下脉冲放电等离子体中N2分子的离解程度。N2分子的离解程度与发射光谱中N原子3p(4S0)→3s(4P)(746......
用染料激光对热管炉中Ba蒸气进行研究时,在4200～4340A波长范围内,发现一宽带结构及一系列Ba原子的非基态能级产生的跃迁线,用Ba_2准......
本文报道用光学二次谐波产生法(SHG)在超高真空环境内对银氧吸附体系所作的实验研究。研究表明,分子氧仅存在于表面低温区,当温度......
超快激光及其调控技术的发展使得原子分子量子态超快测控受到广泛关注,这些研究加深了对强激光与原子分子量子态相互作用的认识。......
The significant advantage of laser initiation is highly anti-electromagnetic interference capability,which meets the......
Insight into the adsorption and dissociation of water over different CuO(111)surfacesThe effect of s
Water adsorption and dissociation on solid surfaces play a key role in a variety of industrial processes,a detailed ......
Insight into the effect of surface structure on H2 adsorption and activation over different CuO(111)
Using density functional theory(DFT)calculations,the interactions of H and H2 with different types of CuO(111)surfac......
The effect of anatase TiO2 surface structure on the behavior of ethanol adsorption and its initial d
The perfect and defective surfaces of anatase TiO2 including(101)and(001)surfaces have been chosen to probe into the......
The non-equilibrium dissociation of oxygen in air is studied using a quasi-one-dimensional model for hypersonic flow......
用CIS/6-31+G(D，P)方法研究了2-甲基环戊酮离子激发态的解离过程，旨在 通过研究，寻求2-甲基环戊酮离子的解离通道和解离产物。本文研......
<正> Recently, there have been many reports on experiments of laser isotopic enrichment of SF6 with infrared multiphoton......
用合肥国家同步辐射实验室光化学站的实验装置研究了苯分子的光电离质谱，从所得光电离效率谱精确地定出了苯分子的电离势及苯离子的......
DETERMINATION OF THE MOLE ABSORBANCE COEFFICIENT AND DISSOCIATION CONSTANT OF THE COLOR COORDINATION
<正> When a coordinate equilibrium is MRn-1+R（?）MRn, we can express the dissociation constant Kn as follows:...
The multi-bond dissociation dynamics of oxalyl chloride ((ClCO)2) is investigated by ab initio calculation. Dissociation......
Determining PPARγ-ligand binding affinity using fluorescent assay with cis-parinaric acid as a probe
Upon the study of small-molecules binding to proteins, the traditional methods for calculating dissociation constants (K......
Adsorption behavior of hexadecyltrimethylammonium bromide (CTAB) to mica substrates as observed by a
Atomic force microscopy is employed to study the adsorption behavior of CTAB to mica surfaces. Results show that conform......
The geometries and bonding characteristics of the first-row transition-metal carbene cations MCH<sub>2</sub><sup>+</sup>......
Influence of steric and intramolecular inductive effects on the variable trends in R-X (R=Alkyl) bon
The question 'why are the variation trends of R-X bond dissociation energy different?' is answered. The R-X bond......
New analytical expression and numerical approach are suggested to calculate dissociation energies De of diatomic molecul......
Accurate studies on the full vibrational energy spectra and molecular dissociation energies for some
It is usually very difficult to directly obtain molecular dissociation energy De and all accurate high-lying vibrational......
By introducing different dopants into the lattice, lanthanum sulfides with higher stability were prepared via the sulfur......
The effect of Zn 2+ ions codoped on the upconversion emission of Er 3+ ions in Er:LiNbO 3 crystal under different excita......
To enhance the conductivity detection sensitivity of common anions(Na-anions) in electrostatic ion chromatography(EIC) b......
High stability of the goldalloy fullerenes:A density functional theory investigation of M_(12)@Au_(2
Discovering highly stable metal fullerenes such as the celebrated C 60 is interesting in cluster science as they have po......
Effect of dextran molecular weight on resonance light-scattering of quantum dots modified with dextr
The reversible aggregation between dextran-conjugated CdSe quantum dots(Dex-CdSe-QDs) and concanavalin A(Con A) was expl......
利用同步辐射光电离质谱的方法研究了甲基丁烯醇(C5H10O)在9.0～15.5eV的真空紫外光电离和光解离过程.通过测量光电离效率曲线,得到......
Thermal conductivity of methane hydrate was measured in hydrate dissociation self-preservation zone by means of the tran......
Thermally induced evolution of phase transformations is a basic physical-chemical process in the dissociation of gas hyd......
Experimental investigation of methane hydrate decomposition by depressurizing in porous media with 3
In order to simulate the behavior of gas hydrate formation and decomposition,a 3-Dimension experimental device was built......
In order to study the nature of gas hydrate in porous media,the formation and dissociation processes of methane hydrate ......
The focus of this study is to investigate the influence of memory effect and the relation of its existence with the diss......
Simulation of gas production from hydrate reservoir by the combination of warm water flooding and de
Gas production from hydrate reservoir by the combination of warm water flooding and depressurization is proposed,which c......
Performic acid (PFA) is an oxidant used in chemical processing, synthesis and bleaching. The macro kinetic models of syn......
Graphene-based materials are promising for hydrogen production and storage.In this work,using density functional theory ......
An approximate method has been established to calculate the depth of the potential acting on an electron in a molecule a......
用时间切片速度成像方法研究了氦液滴中羰基硫(COS)分子的光解动力学.从共振增强(2+1)电离的CO光谱中发现在氦液滴环境中解离产物C......
Quantum chemical calculations of bond dissociation energies for COOH scission and electronic structu
Quantum chemical calculations are performed to investigate the equilibrium C-COOH bond distances and the bond dissociati......
The pyrolysis of 1-hexene can act as a prototype of pyrolytic mechanism in petroleum processing. Details of C-C bond cle......
氯胺酮有良好的镇痛作用,在分离麻醉中(dissociation anesthesia)极少发生心血管意外,安全度大,其副作用是一过性呼吸抑制及苏醒......
DFT Investigation of the Adsorption/dissociation Mechanisms of Methyl Nitrite on the Pd(111) Surface
The adsorption behavior of methyl nitrite (MN) on the closed-packed Pd(111) surface has been investigated in detail by u......
在G3XMP2//B3LYP/6-311+G(3df,2p)水平上对CH3SO3裂解反应的机理进行了研究,获得了6条通道(10条路径),并构建了其势能剖面.同时采......
A K promoted iron-manganese catalyst was prepared by sol-gel method,and subsequently was tested for hydrogenation of car......
