青年中文density functional的意思
density functional中文翻譯：
密度泛函
density functional theory───[物]密度泛函理論
functional───adj.功能的
density───n.密度
functional programming───[計]函數型程序設計法；函數程序設計
phonolite density───響巖密度
functional group───[化學]官能團；功能組，功能基
tapped density───[冶]振實密度
functional relationship───[管理]職能關系；功能關系，函數關系
anticipative functional───預期功能
Reaction energy was always estimated by Group additivity method and density functional theory.───反應能量主要采用原子團加和方法以及密度泛函理論進行估算。
Recent progress in density functional theory (DFT) and its numerical methods is briefly reviewed.───綜述了密度泛函理論及其數值方法的最新進展。
Density functional theory (DFT) of quantum chemistry was briefly introduced.───簡要介紹了量子化學中的密度泛函理論。
The development of density functional theory and its applications made it necessary to improve the relevant calculation accuracy.───密度泛函理論方法及其應用的發展，要求提高其計算精度。
Density functional method was applied to the study of the isomers of the primary explosive of tetrazene.───采用密度泛函理論對四氮烯起爆藥的異構體進行研究。
The structure and vibrational frequencies of Ractopamine molecule in the THz range were simulated by density functional theory.───采用密度泛函理論對萊克多巴胺分子的結構和振動頻率進行了模擬。
Density Functional Theory, Cytosine, Tautomerism.───密度泛函理論；胞嘧啶；
One novel quasi spherical nanocluster B92 have been investigated by using density-functional theory(DFT).───利用密度泛函理論（DFT）研究了一種新穎的準球形納米團簇B92。
CASTEP is based on the density functional theory, using plane wave pseudopotential method (PWP) to calculate the electronic structure.───CASTEP軟件包是基于密度泛函，利用平面波贗勢法（PWP）計算電子結構的程序。
Geometries of the newly synthesized seven - membered ring thionosulfites have been optimized by density functional theory ( DFT ).
The dissociative adsorption of cyclopropane on the copper surface was studied using density functional theory.
The photochemical behavior of succimide in alcohol was investigated and the photolysis mechanism was proposed with the aid of DFT (density functional theory) calculations.
Density Functional Theory, Cytosine, Tautomerism.
The reaction mechanism of H2O2 dismutation catalyzed by a non-heme tetraaza annulene complex has been investigated by density functional theory using the B3LYP functional.
By means of the density functional theory (DFT) methods, the writer of this paper studies the Tautomeric reaction (CN) 2.
Density functional method was applied to the study of the isomers of the primary explosive of tetrazene.
Density functional theory is developed to calculate quantitatively the chemical bond. The theory is a new ab initio method other than matrix mechanics and wave mechanics.
Density functional theory BLYP/DNP and homodesmotic reaction designs were employed to calculate resonance energies of four picryl-triazole derivatives.