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分子动力学     
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  molecular dynamics
     1.Molecular Dynamics Simulation for the Vibration Characteristics of Nonlinear Optical Material BBO 2.Reliability Research on Flip Chip Electronic Packaging
     1.非线性光学材料BBO振动特性的分子动力学模拟\2.电子封装倒装焊的可靠性研究
短句来源
     Molecular Dynamics Research and Experiment of Evaporation and Condensation
     蒸发与凝结现象的分子动力学研究及实验
短句来源
     Docking and Molecular Dynamics Simulation Based on 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase
     6-羟甲基-7,8-二氢喋呤磷酸化酶的分子对接和分子动力学模拟研究
短句来源
     Study of Alloy Phase Formation by Thermodynamics,Molecular Dynamics Simulation and Ion Beam Mixing
     合金相形成的热力学、分子动力学模拟及离子束混合研究
短句来源
     Molecular Dynamics Simulation and Experimental Investigation on Heat Capacities of Liquid Metals
     深过冷液态金属比热的分子动力学模拟及实验研究
短句来源
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  molecular dynamics simulation
     Molecular dynamics simulation of structure of Na_2O-B_2O_3 melt
     Na_2O-B_2O_3熔体结构的分子动力学模拟
短句来源
     A Study of Structure in β-BaB_2O_4 Melt by Molecular Dynamics Simulation
     分子动力学模拟研究β-BaB_2O_4熔体的结构
短句来源
     Molecular Dynamics Simulation of BaF 2·ZrF4
     玻璃新材料ZrF_4·BaF_2的计算机分子动力学模拟
短句来源
     Molecular dynamics simulation of structral properties of liquid Al_2O_3
     液态Al_2O_3结构的分子动力学模拟
短句来源
     Ni/Ni_3Al grain boundary of Ni-based single superalloys: molecular dynamics simulation
     镍基单晶超合金Ni/Ni_3Al晶界的分子动力学模拟
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  molecular dynamic
     In this thesis, the heteroepitaxial growths for Au/Cu(001), Au/Cu(111), Ag/Cu(001), Ag/Cu(111), Cu/Au(001) and Cu/Au(111) were simulated by molecular dynamic method(MD) with embedded atom method(EAM).
     本文通过分子动力学方法,采用EAM原子间相互作用势分别对Au/Cu(001)、Au/Cu(111)、Ag/Cu(001)、Ag/Cu(111)、Cu/Au(001)和Cu/Au(111)异质外延生长进行了模拟,分析了异质外延岛形貌的演化、局域压力分布以及外延岛与基体之间的结合能和基体形变能。
短句来源
     Molecular Dynamic Study on Phospholipase A_2 and its Complex
     磷脂酶A_2及其复合物的分子动力学研究
短句来源
     Molecular Dynamic Simulation of Crack Propagating Along [100],[110] and [111] Orientations in SiC
     SiC沿[100]、[110]和[111]晶向断裂的分子动力学模拟
短句来源
     Molecular dynamic simulations of aqueous LiBr solutions from low concentration to high concentration with the molar ratio of LiBr: H 2O of 1∶64,1∶32,1∶16,1∶8,1∶4,and 1∶3were carried out.
     在 L i Br与水的物质量比分别为 1∶ 64、1∶ 32、1∶ 16、1∶ 8、1∶ 4和 1∶ 3的情况下 ,对 L i Br溶液从低温到高温的分子动力学模拟进行了研究。
短句来源
     Conformational Studies of Asterin B and C in Solution by NMR Ⅱ. Conformational Analysis by NMR and Molecular Dynamic Simulations
     寡肽Asterin B和C溶液构象的NMR研究 Ⅱ.NMR及分子动力学模拟
短句来源
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  molecule dynamics
     The Simulation Study of Molecule Dynamics on Transition of Microstructure During the Rapid Cooling Process Form Al Liquid State(943K)to Amorphous State
     液态(943K)Al快速凝固为非晶态过程中微观结构的分子动力学模拟研究
短句来源
     In the first part, concentration dependence of ethene diffusion in the lattice of H[Al]ZSM-5 has been studied by molecule dynamics (MD) simulation and the application of MD studies on molecular diffusion in zeolites was reviewed.
     第一部分用分子动力学(MD)模拟研究了不同浓度的乙烯分子在沸石H[A1]ZSM-5孔道中的扩散特性,并综述了近十年来MD在研究分子在沸石中扩散这一研究领域的最新科研成果。
短句来源
     In this method, we compared the effect on discriminating near-native structures of different scoring functions, energy minimization (EM) and molecule dynamics (MD).
     比较了不同的能量打分函数、能量优化(EM)以及分子动力学(MD)模拟方法对区分近天然构象的作用。
短句来源
     Molecule Dynamics Simulation on Gas Flow in Microchannels
     微通道气体流动的分子动力学模拟
短句来源
     MOLECULE DYNAMICS SIMULATIONS OF THERMAL CONDUCTIVITIES OF STRUCTURE H HYDRATE
     H型气体水合物导热系数的分子动力学模拟
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  molecular dynamics
The water behavior on (001) and (100) crystal faces of hydroxyapatite (HAP) were studied using molecular dynamics (MD) simulations.
      
Studies on synthesis and molecular dynamics simulation of dendrimers containing amino acids and peptides
      
Through investigating the diamond-silicon grinding system, the grinding mechanism, including chip removal and subsurface damage, is discussed with the aid of the molecular dynamics (MD) approach and grinding experiments.
      
Thermodynamic properties of noble metal clusters: molecular dynamics simulation
      
The thermodynamics properties of noble metal clusters AuN, AgN, CuN, and PtN (N = 80, 106, 140, 180, 216, 256, 312, 360, 408, 500, 628, 736, and 864) are simulated by micro-canonical molecular dynamics simulation technique.
      
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  molecular dynamics simulation
Studies on synthesis and molecular dynamics simulation of dendrimers containing amino acids and peptides
      
Thermodynamic properties of noble metal clusters: molecular dynamics simulation
      
The thermodynamics properties of noble metal clusters AuN, AgN, CuN, and PtN (N = 80, 106, 140, 180, 216, 256, 312, 360, 408, 500, 628, 736, and 864) are simulated by micro-canonical molecular dynamics simulation technique.
      
By employing the Molecular Dynamics simulation and semi-empirical method calculation, we have further investigated the interface properties of the antifreeze protein and ice crystal combined system.
      
Use of this topology and molecular dynamics simulation allows calculating the parameters of proteins that contain such residue in their polypeptide chains.
      
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  molecular dynamic
The architecture of the extended substrate-binding site of granases and structural basis of duodenase dual specificity based on molecular dynamic method are discussed.
      
Computer simulation of the adsorption of Lennard-Jones fluid in slitlike micropores with structured walls was performed by the Monte Carlo and molecular dynamic methods.
      
Molecular dynamic simulation of micellar solutions: A coarse-grain model
      
Molecular dynamic simulation of surfactant solutions is performed using a coarse-grain model.
      
Molecular Dynamic Simulation of the Ligand-Receptor Complexes of the Aminoterminal Domain of the Metabotropic Glutamate Receptor
      
更多          
  molecule dynamics
Molecule dynamics and combined QM/MM study on one-carbon unit transfer reaction catalyzed by GAR transformylase
      
Potential future applications of this single-molecule dynamics mode of AFM to analyses of various biochemical processes involving DNA are discussed.
      
The interaction with other biosystems, as deduced from the protein molecule dynamics, is discussed.
      
The directed and elliptic flows for different light particles and fragments in collisions of 40Ca + 40Ca and 112Sn + 112Sn at energies from 30MeV/nucleon to 100MeV/nucleon were studied in the isospin-dependent quantum molecule dynamics model (IQMD).
      
A two-dimensional model for collisional energy transfer in bimolecular ion-molecule dynamics: M++(H2; D2; or HD)→(MH++H; MD++D;
      
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