查询词典 N.C.O.

Transition probabilities, oscillator strengths, and lifetimes of configurations, multiplets, and individual lines for many-electron atoms and ions are studied employing the WBEPM theory. Transition probabilities and oscillator strengths for alkali metal atoms, alkaline-earth elements Be, Mg, Be , and Mg , carbon atoms and its ions , nitrogen atom and its ions , oxygen atoms and its ions , fluorine atom, Ne , and IB elements are calculated. Lifetimes of C, N, and O atoms are evaluated as well.

运用WBEPM理论对多电子原子和离子的组态、谱项和能级间的跃迁几率、振子强度以及辐射寿命进行系统地研究，计算了碱金属原子、碱土金属的Be、Mg原子及其一价离子、C原子及其离子、N原子及其离子、O原子及其离子、F原子、Ne离子和重金属IB族原子的跃迁几率和振子强度以及C、N、O原子的辐射寿命。

The gaseous impurities in the alloys were well controlled with the sum of C, N and O less than 500wppm. For the first time it was found the strong interaction between Cr-Ti-CON, which reduces the mobility of Ti and CON, enhancing high-temperature strength and the aging-hardening property, and keeping the cold-work induced hardening at higher temperature. Aging-hardening could increase the tensile strength of V-4Cr-4Ti by 30% and could be utilized at 00 C for better economical performane of a vanadium structure. Hydrogen release will occur for the alloys tensile loaded at room temperature, which will affect the safety of a vanadium structure due to the resulting dimensional instability. For hydrogen embrittlement, impact toughness and fracture toughness of the alloy showed higher sensitivity than the tensile test elongation,so the toughness should be used as a new standard for the assessment of the embrittlement. Vanadium alloys were easily oxidized in air.

合金的气体杂质含量得到有效控制，C、N、O总量低于500wppm；首次发现Cr-Ti-CON之间的强相互作用，它使Ti、CON的高温可移动性降低，提高合金的高温强度、增强时效强化特性、使冷加工强化保持到更高温度；时效强化可使V-4Cr-4Ti的强度提高30%，可在低温（00C）下应用，提高构件的经济性；室温下，钒合金在拉应力的作用下，存在着氢释放，带来部件使用中的尺寸不稳定性，影响构件安全；氢脆是钒合金聚变应用的一个关键问题，合金的冲击韧性和断裂韧性表现出比拉伸延伸率更强的氢脆敏感性，应作为评价合金氢脆行为的新标准。

The four fluorescence peaks are generated separately by the combined actions of the methyl parathion and the acetone. In methyl parathion molecule, there are the transition of n electrons in nitryl, the transition of π electronic structure formed by the oxygen atom and the benzene ring and the transition of n electrons in P=O group. In acetone molecule, there is the transition of n electrons in C=O group.

分析得到，四处荧光峰分别是溶剂丙酮分子中C=O上的n电子跃迁、硝基上的n电子跃迁、甲基对硫磷分子中氧原子与苯环形成的大共轭π电子结构跃迁以及P=S上的n电子跃迁共同作用产生。

And then different kinds of intramolecular N-H…O=C hydrogen bonding energies for peptides were evaluated by the substitution method.

在说明取代法的合理性后应用此方法计算α-和β-多肽结构中不同类型的N-H…O=C分子内氢键键能。

In this paper, a method was proposed to evaluate the intramolecular N-H…O=C hydrogen bonding energies for peptides. The reasonability of the substitution method was explained.

本论文的主要研究任务是设计一种能够计算多肽和蛋白质体系中N-H…O=C分子内氢键键能的新方法。

In this thesis,the AM1,MNDO,MINDO/3(mainly AM1)and INDO/S-CI semiempirical MO methods were used toinvestigate the excited-state intramolecular protontransfer reactions of salicylic acid derivatives—salicylic acid,methyl salicylate,salicylaldehyde,o-hydroxyaceto-phenone,salicylamide and 3-hydroxy-picolinamide (6 conformers and 2-3 anion species);2-(2'-hydroxy-5' methylphenyl) benzotriazole(4 conformers),2-(2' hydroxyphenyl) benzimidazole (3 conformers and 3anion species),Bis-2,5-(2-benzoxazolyl)hydroquinone(3 conformers),2-(2'-hydroxyphenyl)benzothiazole(2conformers) and 7-azaindole dimer (2 conformers).Theinvestigations were described as follows.Geometry optimization,relative stability andhydrogen bonding energy First,for sylicylic acid derivative molecules,the AM1,MNDO and MINDO/3 methods were used toinvestigate ground-state geometry optimization,energies,relative stabilities and hydrogen-bondingenergies on the five kinds of the molecules(designing 6 conformers and 2-3 anion species).Comparing with experimental data,the optimizedgeometry,the order of stability,the hydrogen-bonding energies and the distances between O-O in O-H..O hydrogen bonds by AM1 method were in agreementwith the experimental data,however,the C-C bondlengths optimized by MNDO and MINDO/3 were longer,C-O and O-H bond lengths were shorter;for C-N bondlengths,the results opitimized by MNDO method werethe same as those by AM1 method,nevertheless the C-Nbond lengths given by MINDO/3 method were muchshorter.For some sylicylic acid derivatives(e.g.methyl salicylate,salicylamide),the order ofstabilities on the conformers given by MNDO andMINDO/3 methods were not in agreement with theexisting conformers deduced by experimental methods,and the hydrogen bonding energies calculated by MNDO.and MINDO/3 methods were smaller.Second,the studyon the other systems found that the optimizedgeometry of the proton-transfered product with INDOmethod could not be obtained,only could theoptimized geometry of reactant be obtained,and thecalculated hydrogen bonding energies were greater.Many results of calculation indicated that the studyon the excited-state intramolecular proton transferreaction system using AM1 method was suitable andreliable.

本论文用AM1、MNDO、MINDO/3（主要是AM1）和INDO/S-CI半经验分子轨道方法对水杨酸衍生物系列——水杨酸、水杨酸甲酯、水杨醛、O-羟基乙酰苯酮、水杨酰胺和3-羟基吡啶酰胺（6种异构体和2-3种阴离子）；2-（2'-羟基-5'-甲基苯基）苯并三〓唑（4种异构体）；2-（2'-羟基苯基）苯并咪唑（3种异构体和3种阴离子）；2，5-二间氮杂氧茚氢醌（3种异构体）；2-（2'-羟基苯基）间〓杂硫茚（2种异构体）和7-〓吲哚二体（2种异构体）的激发态分子内质子转移反应在以下几个方面进行了较系统的理论研究：几何构型优化和相对稳定性及氢键能首先以水杨酸衍生物系列分子为例，用AM1、MNDO和MINDO/3方法考察了5种分子（每种分子设计6种异构体和2-3种阴离子）的基态几何构型优化，能量、相对稳定性和氢键能计算，通过和实验数据进行比较，AM1方法给出的优化几何构型、稳定性次序、氢键能和O—H。。。O氢键的0—0距离与实验数据吻合最好，MNDO和MINDO/3方法优化的C-C键长偏长，C-O键和O-H键长偏短；对于C-N键长，MNDO和AM1优化结果差别不大，而MINDO/3给出了过短的C-N键长，MNDO和MINDO/3方法给出的有些水杨酸衍生物分子（如水杨酸甲酯和水杨酰胺）异构体的稳定性次序和实验上推测的可存在异构体结果不一致，MNDO和MINDO/3方法给出的氢键能偏低，对其他体系的研究发现INDO方法常常不能得到质子转移产物的优化几何构型，只能得到反应物的优化构型，并且估算的氢键能偏高，大量的计算结果表明AM1方法对本论文研究的激发态分子内质子转移反应体系是适宜和可靠的。

The present invention concerns the compounds having the formula N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof, wherein R1 and R8 each are H, optionally substituted C1-6alkyl, C2-6alkenyl, C3-7cycloalkyl, aryl, Het1, Het2; R1 may also be a radical of formula (R11aR11b)NC(R10aR10b)CR9-; t is 0, 1 or 2; R2 is H or C1-6alkyl; L is -C-,-O-C-,-NR8-C-,-O-C1-6alkanediyl-C-,-NR8-C1-6alkanediyl-C-,-S2-,-O-S2-,-NR8-S2 ; R3 is C1-6alkyl, aryl, C3-7cycloalkyl, C3-7cycloalkylC1-4alkyl, or arylC1-4alkyl; R4 is H, C1-4alkylOC, carboxyl, aminoC, mono- or di(C1-4alkyl)aminoC, C3-7cycloalkyl, C2-6alkenyl, C2-6alkynyl or optionally substituted C1-6alkyl; R5 and R6 are H or C1-6alkyl.

本发明涉及右式化合物其N-氧化物、盐、立体异构形式、外消旋混合物、前药、酯及代谢物，其中R 1 及R 8 各是氢、C 1-6 烷基、C 2-6 烯基、C 3-7 环烷基、芳基、Het 1 、Het 2 ；R 1 也可以是式(R 11a R 11b )NC(R 10A R 10b )CR 9 -之基；t是0、1或2；R 2 是氢或C 1-6 烷基；L是-C-、-O-C-、-NR 8 -C-、-O-C 1-6 烷二基-C-、-NR 8 -C 1-6 烷二基-C-、-S 2 -，-O-S 2 -、-NR 8 -S 2 -；R 3 是C 1-6 烷基、芳基、C 3-7 环烷基、C 3-7 环烷基C 1-4 烷基或芳基C 1-4 烷基；R 4 是氢、C 1-4 烷基OC、羧基、氨基C、一-或二(C 1-4 烷基)氨基C、C 3-7 环烷基、C 2-6 烯基、C 2-6 炔基或任选被取代的C 1-6 烷基；R 5 及R 6 是氢或C 1-6 烷基。

O.I.N.C. can be reinsured to insurance or reinsurance companies and its payments are guaranteed by the State.

O.I.N.C。可向保险或再保险公司安排分保，其支付能力由国家提供保证。

Theoretical calculations on a series of N-H…O=C hydrogen bond trimers were carried out using the MP2 method. We investigated the effect of substituents in hydrogen bond donor molecules on their hydrogen bond strength.

使用MP2方法研究了氢键三聚体中N-H…O=C氢键强度，探讨了氢键受体分子中不同取代基对N-H…O=C氢键强度的影响。

But in the systems of HO-C≡P and NH2-C≡P, H-P=C=O and N≡C-PH2 containing C≡N triple bond are thermodynamically the most stable species, respectively.

而在HO-C≡P和NH2-C≡P体系中，热力学最稳定的结构却是H-P=C=O和含C≡N三键的N≡C-PH2。

The labia have now been sutured together almost completely.The drains and the Foley catheter come out at the top.

此刻阴唇已经几乎完全的缝在一起了，排除多余淤血体液的管子和Foley导管从顶端冒出来。

To get the business done, I suggest we split the difference in price.

为了做成这笔生意，我建议我们在价格上大家各让一半。