1) proton transfer
质子迁移
1.
The relative stabilities and probable proton transfer in isolated and monohydrated 2-hydroxy- imidazole molecules have been studied in gas phase using ab initio (MP2/6-31+G*) method.
采用从头算方法在MP2/6-31+G*水平上研究了2-羟基咪唑分子在孤立分子和一水合物的异构体的相对稳定性和可能的质子迁移反应,分析了一个水分子的参与对2-羟基咪唑分子异构体的相对稳定性和质子迁移速率的影响,采用MonteCarlo模拟方法研究了反应体系在水溶液中反应的溶剂化效应。
2.
The DFT (B3LYP/6-31+G *) method was used to study the relative stabilities and probable proton transfer in isolated and monohydrated 2,4-dithiothymine molecules in gas phase.
采用密度泛函方法在B3LYP/ 6 3 1+G 水平上研究了 2 ,4 二硫基胸腺嘧啶孤立分子和水合物的异构体的相对稳定性和可能的质子迁移反应 ,分析了水分子的参与对 2 ,4 二硫基胸腺嘧啶异构体的相对稳定性和质子迁移速率的影响 。
3.
A study of the proton transfer process from halobenzoic acids to benzoic acid in water-ethanol mixtures compared with the same process in the gaseous phase is presented.
将在水 乙醇混合溶剂中从卤代苯甲酸到苯甲酸的质子迁移过程与在气相中的同一过程进行了比较 。
2) solute transport
溶质迁移
1.
Experimental study on the application of boundary layer theory method to the estimation of soil solute transport parameters;
应用边界层方法确定溶质迁移参数的实验研究
2.
Simulation of one-dimensional solute transport in homogeneous and heterogeneous soils with scale-dependent fractional advection-dispersion equation;
一维均质与非均质土柱中溶质迁移的分数微分对流-弥散模拟
3.
The relationship between water table depth and saliniztion of soil has been studied by numerical simulation on the basis of theory of the soil water dynamic and solute transport in the Atmosphere Salinization of Soil Ground water Continuum(ASGC).
在完成土壤水盐数据自动采集系统研制、水盐运动参数测定、数学模型建模识别、数值计算方法选择评价４项基础研究后，针对干旱区的一个大型灌区土壤－水环境中溶质迁移动态进行了系统模拟，获得复杂环境条件下多因子、多处理组合模式化的图谱，有助地下水与土壤盐渍化定量关系深入揭示、水土资源管理与预
3) solute migration
溶质迁移
1.
Based on the lab-experiments on the in-situ leaching processes of sandstonetype uranium deposit, the idea of front of solute migration and the specific front of solute migration was presented in this paper, and it will be a way to study the solute migration.
讨论了“溶质迁移、溶质迁移面和特征性溶质迁移面”的概念 ,以及研究溶质迁移的方法和实例。
4) mass transfer
质量迁移
1.
The flows are characterized by active participation in structure formation and mass transfer of ore material.
岩石块体中的压实和挤压作用反映了其内的机构能量积累和转换过程，并作为独特的具有高地球化学活性和剧烈质量迁移的推动力。
2.
According to mass balance analysis and their geochemical compositions, the mass transfer and element mobility during regional metamorphism of the pelites of the Shuangqiaoshan Group in the Lushan region are discussed.
依据质量平衡原理,从地球化学组成探讨了庐山双桥山群泥质岩系在区域变质作用过程中岩石的质量迁移和元素活动,结果表明黑云母片岩和(十字)石榴片岩相对于板岩,其质量分别损失了约17％和23％,元素Si、Na、K、Rb、Sr有明显的活动迁移,Al、U、REEs等也有一定的活动性。
3.
alculation of mass transfer with equation presented by grant (1986) shows that SiO2,Al2O3, FeO, Ni, Zn, As and Ba are gained components, while CaO, MgO, Na2O, Sc, V, Co,Bi, Sr and REE are lost components for both gold and silver mineralizations in the Changkeng deposit.
在长坑矿床的金矿化和银矿化过程中，质量迁移计算显示SiO2、Al2O3、FeO、Ni、Zn、As、Ba均为带人组分，而CaO、MgO、Na2O、Sc、V、Co、Bi、Sr、REE则为带出物质；Fe2O3、MnO、Cu、Pb的得失性质因矿化类型而异，轻、重稀土在金矿化中发生分离，但在银矿石形成过程中却表现出比较一致的行为。
5) mass transport
质量迁移
1.
Volume strain and mass transport of tectonite: Implications for geology,with an example from the Gaoligongshan ductile shear zone;
构造岩体积应变与质量迁移分析在地质学研究中的意义——以怒江断裂高黎贡山为例
2.
The present paper advances a new method to determine immobile elements for the mass transport calculation during the wall rock alteration of ore forming processes.
在以往围岩蚀变的质量迁移研究基础上，本文提出了一种判定惰性元素的方法，同时结合等浓度线和加权最小二乘法，给出研究热液围岩蚀变中组分质量迁移的计算方法。
补充资料：“质子-电子偶极-偶极”质子弛豫增强
“质子-电子偶极-偶极”质子弛豫增强
物理学术语。原子核外层中不成对的电子质量小，但磁动性很强，可使局部磁场波动增强，促使氢质子弛豫加快，从而使T1和T2缩短，这种效应即为PEDDPRE。过渡元素和镧系元素大部分在d和f轨道有多个不成对电子，所以其离子往往具有PEDDPRE，可用来作顺磁性对比剂，如钆(Gd)。Gd在外层有7个不成对电子，具有很强的顺磁性。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条