词语大全 quantum chemistry造句 quantum chemistryの例文 "quantum chemistry"是什麼意思

Posted 2022-08-13 分子

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词语大全 quantum chemistry造句 quantum chemistryの例文 "quantum chemistry"是什麼意思

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Significant biological apppcations of quantum chemistry are on the increase .
量子化學的重要生物學應用正在不斷增加。

The hydrogenpke atom is the single most important system in quantum chemistry .
類氫原子在量子化學中是獨特的而最重要的體系。

Apppcation of quantum mechanics to atomic structure, molecular bonding, and spectroscopy gives us quantum chemistry .
將量子力學應用于原子結構，分子鍵及光譜學即形成量子化學。

Quantum chemistry study of pka for norepinephrine in aqueous solution
值的量子化學研究

Dipole moment in quantum chemistry calculation
量子化學計算中的電偶極矩

Quantum chemistry study on the anti - tumor activity of flavonoids pounds
黃酮體化合物抗腫瘤活性的量子化學研究

Computational quantum chemistry
計算量子化學

Quantum chemistry b
量子化學計算方法

Molecular structure of propadiene as seen from ab iintio calculation in quantum chemistry
丙二烯分子結構的量子化學從頭計算

The quantum chemistry calculation of the active site of a novel vanadium - containing superoxide dismutase
釩模擬超氧化物歧化酶的活性中心計算

It\'s difficult to see quantum chemistry in a sentence. 用quantum chemistry造句挺難的

The calculation of the quantum chemistry shows the reaction mechanism of the condensation reaction
利?量子化學計算方法討論了該縮合反應的機理。

They have also released a special version of the cd with tools for molecular quantum chemistry
另外還發布了一個特殊版本的cd ，內有分子量子化學的工具。

A quantum chemistry study on the electronic structure of flotation reagents and its coordination with sulphide ore
黃藥類浮選藥劑電子結構與浮選機理的量子化學研究

The character of carbon dioxide dimer was studied by quantum chemistry calculation method and the pvt relation of supercritical carbon dioxide was also calculated by bwr state equation
同時也對超臨界狀態下co _ 2的締合性質及其pvt關系進行了研究。

33 focuses on advanced experimentation , with particular emphasis on chemical synthesis and the fundamentals of quantum chemistry , illustrated through molecular spectroscopy
33的課程著重于進階實驗方法，特別強調化學合成以及經由分子光譜學闡釋的基本量子化學原則。

The result is useful for us to choose the ti matrices . based on quantum chemistry , a o - step dynamic model of interfacial reaction in scs - 6 sic / ti posites was built up
在量子化學研究的基礎上，建立了scs - 6sic ti基復合材料界面反應的反應動力學模型，即反應是通過原子態的中間態分二個步驟進行的。

While merkel hosts the leaders of the world \' s eight most y nations , her husband , a professor of quantum chemistry , will be the only male with the spouses of the other presidents and prime ministers
在默克爾接待世界上最富裕的八個國家的領導人的同時，她的身為量子化學教授的丈夫將成為各位領導人配偶中的唯一男性。

While merkel hosts the leaders of the world \' s eight most wealthy nations , her husband , a professor of quantum chemistry , will be the only male with the spouses of the other presidents and prime ministers
在默克爾接待世界上最富裕的八個國家的領導人的同時，她的身為量子化學教授的丈夫將成為各位領導人配偶中的唯一男性。

Ni xiangshan * , shi xiufan , pn lunjiang * 1988 an interaction potential beeen an alanine zwitterion and a water molecule based on abainitio calculations . international journal of quantum chemistry , 34 : 527 - 533
倪向善* 、石秀凡、林倫獎* 1988基于從頭算的丙氨酸兩性離子和水分子的相互作用。國際量子化學雜志, 34 : 521 533 。

Therefore , in this paper , the interfacial reactions of sic / ti posites were studied by means of quantum chemistry , thermodynamics , kiics , diffusion dynamics and experiment
因此本文運用量子化學、熱力學、動力學、擴散等理論，并采用實驗觀察，對sic ti基復合材料界面反應進行了多方面的研究，揭示了界面反應的本質。

In this paper , the thermoelectric properties of ca3co2o6 , and ca3co409 with layered structure are investigated by the quantum chemistry calculation . their conductivity and good thermoelectric properties are explained
本文運用量子化學計算方法對ca _ 3co _ 2o _ 6和ca _ 3co _ 4o _ 9層狀氧化物體系的熱電性質進行了研究，解釋了其傳導特性及其具有良好熱電性能的原因。

It is indicated by quantum chemistry calculation that dissociation energy of ti , c and si is 108kj / mol , 499 . 7 kj / mol and 626 . 1 kj / mol , respectively , coincided well with the experimental ones found in pteratures
量子化學計算表明其離解能分別為108kj mol 、 499 . 7kj mol和626 . 1kj mol ，與文獻報道的試驗值吻合。離解能數據及速率常數的計算均證明ti的離解較為容易。

It is the underlying mathematical framework of many fields of physics and chemistry , including condensed matter physics , atomic physics , molecular physics , putational chemistry , quantum chemistry , particle physics , and nuclear physics
它是許多物理學和化學領域的根本數學框架，包括濃縮物質物理學、原子物理學、分子物理學、計算化學、量子化學、粒子物理學和核子物理學。

Quantum chemistry can solve problems which are not settled with conventional theory and method . the fundamental theory of quantum chemistry and scc - dv - x method are introduced . the advances of quantum chemistry in cement chemistry field in recent three years are reviewed
量子化學能解決許多用傳統理論和方法所不能解決的材料科學問題，本文介紹了計算量子化學的基本理論及scc - dv - x方法，綜述了近三年來量子化學在水泥化學領域應用的研究進展。

The center for putational quantum chemistry at the university of georgia seeks to develop theoretical and putational methods through mathematical models for describing and understanding the movement and function of electrons in molecules and to apply the theoretical methods to significant problems of broad chemical interest
喬治亞州大學的計算量子化學中心致力于發展用數學的理論和計算描述電子的運動和分子結構，并使這種方法得到應用。

After getting thermo - chemical data of some pounds by using gaussian 98 sofare of quantum chemistry and obtaining activities of elements in ti matrix , the gibbs function increments , rg , for 16 chemical reactions at the interface of 12 scs - 6 sic / ti posites were calculated
結合量子化學研究結果，計算了scs - 6sic纖維與ti - al金屬間化合物和典型的近、 + 、近及鈦合金組成的復合材料體系可能發生的16個界面反應的gibbs函數變_ rg 。

The present situation and expectation of domestic and overseas acidizing corrosion inhibitors were reviewed in this paper . and their characteristics and results of apppcation in oil and gas fields were evaluated . furthermore , the research of quantum chemistry on organic corrosion inhibitors was introduced
綜述了國內外酸化緩蝕劑的應用現狀及其發展動向,評價了油氣田酸化作業中常用緩蝕劑的性能特征、適用范圍和應用效果,并介紹了有機緩蝕劑量子化學研究

Abstract : quantum chemistry can solve problems which are not settled with conventional theory and method . the fundamental theory of quantum chemistry and scc - dv - x method are introduced . the advances of quantum chemistry in cement chemistry field in recent three years are reviewed
文摘:量子化學能解決許多用傳統理論和方法所不能解決的材料科學問題，本文介紹了計算量子化學的基本理論及scc - dv - x方法，綜述了近三年來量子化學在水泥化學領域應用的研究進展。

Quantitative structure - activity relationship is a method building a statistical model . the model can quantificationally predict structure - activity relationship of molecule , and bioactivity of new molecules can be known . structure of molecule , which is described by parameters in physical chemistry , biochemistry and quantum chemistry , includes functional group , minor structure , molecular fragment , chemical position
本文提出了一種定量構效關系的處理方法,即應用支持向量回歸方法解決定量構效關系,并且應用這種方法預測了芳香烴化合物生物降解度與喜樹堿化合物抗腫瘤生物活性,取得了比較令人滿意的結果。

It\'s difficult to see quantum chemistry in a sentence. 用quantum chemistry造句挺難的

The latter plays a very important role in the study of the mechanism and dynamics of the recognition . it includes the molecular modepng , confirming the binding sites , the calculation of interactions beeen receptor and pgand , the docking research of the plex , the calculation of dynamic and thermodynamic properties etc . many theoretical calculation methods are involved , such as quantum chemistry , molecular mechanisms , molecular dynamics , monte carlo method and free energy calculation and so on
其中計算機模擬方法是研究分子識別機制及其動態過程的重要途徑，包括底物及受體分子模型的構建、底物及受體相互作用位點的確定、相互作用力的計算、底物及受體分子的對接及其動態過程的研究、體系熱力學及動力學性質的計算等方面內容。

It has been offering secure work service to 600 local scientific researchers and some other inter users . the work parallel putation cluster inside the system has been appped to carry on magnanimity superputing of quantum chemistry by researchers in the state key laboratory of structure chemistry . it is highly appraised by experts and users
系統實現后已經提供了安全網絡服務給600名本地科研用戶以及一些所外互聯網用戶；同時該系統中所包含的網絡并行計算機群正在為中國科學院福建物質結構研究所結構化學國家重點實驗室的科研用戶提供量子化學海量超級計算服務。

Combining quantum chemistry calculation with experimental evaluation , the activation energies of possible interfacial reaction were calculated . it is shown that the first step in which the atomic ti , c and si were deposed from ti matrices and fiber , respectively , is a rate - controlpng step because the activation energy of the step is larger than second one
量子化學計算與經驗估算相結合，求出了可能發生的界面反應的活化能，表明第一步驟的活化能遠大于第二步驟的活化能，因而第一步驟是反應的動力學控制因素，在這一步驟中，原子態的ti 、 si 、 c分別從基體鈦合金和纖維中分解出來。

It is the first time to study the mechanism of interfacial reaction in sic / ti posites by quantum chemistry putation methods . a suitable method to calculate titanium carbide and sipcide was found and the thermodynamic and dynamic data involved in interfacial reaction of sic / ti posites have been obtained
首次將量子化學計算理論運用于金屬基復合材料界面反應的研究中，運用gaussian98量子化學計算程序，找到了適合于研究過渡族金屬ti的碳化物和硅化物的計算方法，獲得了sic ti基復合材料界面反應的熱力學和動力學數據。

Clusters are the aggregates of a few to thousands atoms or molecules or ions their properties are neither pke those for individual atoms nor the corresponding bulk and therefore clusters are named " the fifth state of the matter " . during the development of cluster science , many concepts and methods have been introduced from nuclear physics , condense matter physics and quantum chemistry , cluster science has became an new interdiscippnary field beeen atomic - molecular physics and condensed matter physics
團簇( clusters )是由2 104個原子、分子或離子通過物理或化學結合力組成的相對穩定的微觀和亞微觀聚集體，它的空間尺度在幾a至幾百a范圍內，被人們看作是介于原子分子和宏觀固體之間物質結構的新層次，并稱之為物質的“第五態” 。