杂原子

The sulphur atom in the intermediate has sp2 hybridization, and the remaining p orbital is symmetrical to the d orbital of the metal center. Thus, the lone pair on the p orbital can have interaction with the d orbital to form a π bond, which leads to the coplanarity of the center of Cp ring, Ru, P, S and Si atoms, rather than the deviation of P, S and Si atoms from the plane.

该中间体中，硫原子采取sp2杂化，硫原子剩余的一个p轨道与金属中心上的d轨道具有相同的对称性，因而该p轨道上的孤电子对可与金属中心上的d轨道形成π键，导致Cp环中心， Ru， S1， P和Si原子在同一平面内，而不是S1， P和Si原子偏离该平面。

The results show that the sturcture of each of Tin clusters is obtained by capping one Ti atom to the Tin-1. The Natural bond orbital analysis show that the 4s , 4p, 4d orbitals hybridizes with 3d orbital, and about one electron transfer from 4s orbital to 3d orbital. Moreover, the electrons also transfer between different atom. The results also indicate that the average bond length of clusters were determined by the 4d and 3d orbitals except Ti7. But for Ti7, the average bond length only depend on 3d orbital.

研究结果表明： Tin(n=2~7)团簇都依带帽的形式在前一个团簇的结构基础上加一个原子变化而来；通过自然轨道分析发现，团簇原子的轨道存在sp-d杂化，有大约一个电子从4s转移到了3d，原子之间亦存在电子转移，而且除Ti7外，团簇键长由最外层4d轨道电子和3d轨道共同决定，在Ti7中，团簇键长由3d轨道决定。

The present invention relates to sulphonyloxazolamines of general formula, wherein R, R represent independently from each other H, A,-(CH2)n-Ar or alkenyl with 2-6 C atoms, R and R together also represent a mononuclear saturated heterocycle with 1-2 N, O and/or S atoms, Z is H, A, CF3, NO2, Hal, OH, OA, NH2, NHA or NA2, A represents alkyl with 1-6 C atoms, Ar is Z-monosubstituted or Z-disubstituted phenyl, halogen is F, Cl, Br or I, n is 1 or 2 or the physiologically acceptable salts or solvates thereof.

本发明涉及式磺酰基∴唑胺或其生理上可接受的盐或溶剂化物，其中R 1 ，R 2 每一个相互独立为H、A、－(CH 2 )n－Ar或具有2到6个C原子的链烯基，R 1 和R 2 也一起为具有1到2个N、O和/或S原子的单核饱和杂环，Z为H、A、CF 3 、NO 2 、卤素、OH、OA、NH 2 。NHA或NA 2 ，A为具有1到6个C原子的烷基，Ar为被Z取代的或Z二－取代的苯基，卤素为F、Cl、Br或I，n为1或2。

The use of benzazepin-N-acetic acid derivatives which contain an oxo group in the a position to the nitrogen atom and are substituted in the 3 position by a 1--cyclopentyl-carbonyl-amino radical, and of their salts and biolabile esters, for the prophylaxis and/or treatment of heart damage caused by cardiotoxic doses of medicaments or chemicals, in larger mammals and in particular humans.

本发明涉及苯并氮杂∴－N－乙酸衍生物及其盐和生物不稳定的酯的应用，其中苯并氮杂∴－N－乙酸衍生物在氮原子的α位置含有氧代基，且在3－位置上被1－－环戊基－羰基－氨基残基取代，用于预防和/或治疗大的哺乳动物和特别是人体的心脏损伤，其中心脏损伤是由心脏中毒剂量的药物或化学品引起的。

It indicates that sp3 bonds have been formed between adjacent fullerene molecus via [2+2] cycloaddition reaction, leading to the inequivalent sp2 carbons on C60 cage. The former line has been broadened and has several components due to this inequivalent sp2 carbons.

这表明通过[2+2]加环反应在邻近C60分子之间形成了sp3杂化共价键，使得C60分子球笼上出现了五个位置不等价的sp2杂化碳原子，导致位于145ppm附近的sp2杂化峰展宽。

Provided herein is a compound having the formula I R2 is typically a tertiary nitrogen atom, being either alkyl-substituted or member of q heterocyclic ring R7 is typically a monocyclic or bicyclic aromatic ring or a heterocyclic ring wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders.

本发明提供具有式的化合物(R 2 通常为叔氮原子，其或者为烷基取代或为杂环的成员；R 7 通常为单环或双环芳环或杂环)，其中所述化合物用于治疗精神病学的疾病，其包括抑郁症、泛化性焦虑症、饮食障碍、痴呆症、恐慌病和睡眠障碍。

The change for substitute group on chlorin ring of chlorophyll-a derivative and the effect on their visible spectra is discussed and summarized according to relation of electron effect and substituted position of different groups with conjugated region.

根据不同取代基的电子效应、取代位置与分子共轭区域的联系，提出二氮杂轮烯和四氮杂轮烯组成的非等原子芳香体系结构，总结了卟吩大环上的化学结构变化对其可见光谱的影响。

The calculation of state densities and magnetic moments in NdFe_9Si_2Cx compounds (X=0,2) shows that the Si atom mainly hybridizes with Fe(4b) and Fe(32i), thereby decreases the Fe magnetic moment.

理论计算NdFe_9Si_2C_x化合物(x=0，2)态密度和磁矩等结果表明NdFe_9Si_2化合物中Si原子主要与4b位和32i位Fe原子产生杂化，导致Fe原子磁矩减小。

The results available now indicate that glass-like carbon synthesized from phenolic resin is a non-graphitizing carbon, and consists of both sp 2-hybridized carbon atoms that form imperfect graphite structure and sp 3-hybridized carbon atoms that are due to the presence of disordered carbon; and in the fullerene-related structure of glass-like carbon, there exist some pentagons and heptagons carbon rings.

玻璃炭作为一种特殊炭材料已广泛应用于许多领域，其制备、性质、应用以及基本结构的研究已经取得了很大的进展，已有的研究结果表明酚醛树脂基玻璃炭是一种典型的非石墨化炭材料，由 sp2杂化态碳原子和 sp3杂态碳原子组成，且在其类富勒烯结构中存在五元环和七元环。

As a result, the number of electrons on CO 2π~* incr...

CO 5σ中C原子的杂化形式也由sp杂化转化为sp~2杂化。K的共吸附使CO各轨道的电离势有所上升。

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。