density functional theory的意思

density functional theory中文翻譯：

[物]密度泛函理論

相似詞語短語

density function───[數][統計]密度函數

density functions───[數][統計]密度函數

implicit function theorem───[數]隱函數定理

implicit function theorems───[數]隱函數定理

attribution theory───歸因理論

decision theory───n.[數]決策論

deduction theorem───演繹定理

evolution theory───[進化]進化論

evolutionary theory───[進化]進化論

雙語使用場景

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 dissociative adsorption of cyclopropane on the copper surface was studied using density functional theory.───采用密度泛函理論研究了吸附在銅表面的環丙烷的解離吸附過程.

Tell me more about how CASTEP uses density functional theory.───關于CASTEP怎么使用密度告訴我更多功能的理論.

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。

英語使用場景

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.

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.

We review the self-assembly of functional molecules on metal substrates based on density functional theory using ab initio calculations and ultrahigh vacuum molecular beam epitaxy technique.

The photochemical behavior of succimide in alcohol was investigated and the photolysis mechanism was proposed with the aid of DFT (density functional theory) calculations.

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 Theory, Cytosine, Tautomerism.

Density functional theory BLYP/DNP and homodesmotic reaction designs were employed to calculate resonance energies of four picryl-triazole derivatives.