Methods Density functional (B3LYP) method with Relativistic Effective Core Potential (RECP) has been used to optimize the structures of PdH and PdH_2 molecules.
方法采用数用相对论有效原子实势（RECP）和密度泛函（B3LYP）方法。
The execution process, core questions, and potential issues within each step are detailed below.
下面详细列出了执行过程、核心问题和每个步骤中潜在的问题。
A core system test team working closely with development in an agile environment offers significant potential benefits to the development organization.
在敏捷的环境中，与开发密切合作的核心系统测试团队向开发组织提供了重大的潜在好处。
The point of this discussion isn't to brag about the performance of DB2 UDB (okay, perhaps a little), but rather to illustrate the potential power of a well engineered dual core architecture.
这次讨论的目的不是要吹嘘DB2UDB的性能（我承认有那么一点），而是说明一个设计良好的双核心架构的潜在威力。
Any potential acquisition target must expand our regional footprint and improve ICBC's core competencies and long-term returns.
任何潜在的收购目标都必须能够扩展我们的区域布局，提升工行的核心竞争力和长期的回报。
They collected core samples from freshwater aquifers in the US that overlie potential CCS sites and then studied their reaction to exposure to CO2 over the course of a year in the laboratory.
他们收集了位于潜在的CCS站点之上的美国淡水含水层的矿样，然后在实验室里研究了他们在一年中暴露在二氧化碳下的反应情况。
A core competence provides potential access to a wide variety of markets - 'core competencies are the gateways to new markets' (Hamel, 1994, p. 15).
核心竞争力提供了进入多种市场的潜力——“核心竞争力是通往新市场的大门”(哈默，1994，第15页)。
The “growth potential is big right now in this core search market” and the new products are “still leveraging their search capabilities.
“手机搜索市场还有很大的发展潜力”，而百度的新产品“仍可以利用他们的搜索优势。”
The "growth potential is big right now in this core search market" and the new products are "still leveraging their search capabilities."
“手机搜索市场还有很大的发展潜力”，而百度的新产品“仍可以利用他们的搜索优势。”
If this core idea has the potential to be a big idea, it will become so only after a number of advertisements have been done that bring that core idea to life.
如果核心创意有潜力成为大创意，只有在做了许多广告赋予核心创意生命之后，才会实现。
As a general rule, though, Winners stay Winners because they start building their next growth business before the growth potential of their core business shows signs of disappearing.
大体来说，赢家会继续保有领先地位，因为这些公司懂得在核心业务成长出现疲态时，就开始建立下一个成长性业务。
The characteristics, which promote teaching resources of the core competitiveness for the college and excavate potential, can provide new construction perspective.
这一特质又为大学提升教学资源核心竞争力，挖掘教学资源潜力提供了新的建设视角。
Core inflation remains somewhat elevated. Although inflation pressures seem likely to moderate over time, the high level of resource utilization has the potential to sustain those pressures.
核心通货膨胀有所提高。随着时间的推移，通货膨胀压力看来正趋于缓和，不过，资源利用水平处于高位将对通货膨胀构成潜在的压力。
Corporate strategy determines the operation scope and the policy of competition, and determines the basic model and the potential of the value creation, so it is the core of the value creation.
企业战略确定了企业所选择从事的经营活动，以及在这些活动中的竞争策略，由此决定了企业价值创造的基本模式和价值创造潜力，是企业价值的核心。
Therefore, it was the core research to find the extracellular matrix materials that have developed tissue regeneration potential.
因此，寻找能充分发挥组织再生潜力的细胞外基质材料是研究的核心内容。
In future, the company will build more higher-end business hotels in the urban core area of Danyang, Xuzhou, Changzhou, Fuyang, and other potential cities.
未来，酒店管理公司还将在丹阳、徐州、常州、阜阳等多个潜力城市的核心地段打造更为高端的商务酒店。
Create a deep connection with your core target audience - your potential raving fans!
与你的埋伏核心目标客户(你埋伏的猖狂粉丝)创立深厚的接洽。
Achieving the potential tremendous profit through the bank reengineering which can gather the core competitive ability has become a strategic developing tendency.
通过再造使银行凝聚核心竞争力进而获取潜在的巨大利益，已经成为国际银行界未来普遍的战略发展趋势。
In the strategic perspective, the BEOFRE informs potential buyers of the existence of the product, the CORE is the explanation of the benefits it provides.
在策略层面上，之前成分使潜在的购买者意识到该产品的存在，核心成分介绍产品的功效。
Core Impact is a real complex product with huge potential, but has a very high learning curve and you just need few hours to manage basic features with confidence.
核心是真正影响复杂产品潜力巨大，但有一个非常高的学习曲线，你只需几小时管理的基本特征与信心。
In their view, core competence first of all should provide the enterprises with the potential to enter different markets.
在他们看来、核心能力首先应该提供企业有可能进入不同的市场。
Antimicrobial resistance is a serious problem that strikes at the core of infectious disease control and has the potential to halt, and possibly even to roll back, progress.
抗菌素耐药性是一个严重问题，影响到传染病控制的核心工作并有可能使进展停滞，或甚至可能出现倒退。
Through analysis of geological characteristics and core flow test for sensitivity, the factors, mechanism and degree of potential reservoir damage are studied.
从分析储层地质特征入手，通过岩心敏感性流动实验，研究了储层潜在伤害因素、伤害机理及伤害程度。
The potential treatments and USES that may stem from the CRISPR method still remain a few years off-hopefully long enough to solve who gets the final ownership on the core technology.
而源于这项技术的潜在治疗手段和应用，估计仍需要几年时间才会成为现实，但愿在此期间，我们能够解决这项核心技术的归属问题。
Entrepreneur is the core of enterprise, and the talent of them is closely related with the development potential of the enterprise.
企业家是企业的核心人物，其所具有才能的高低与企业的发展潜力密切相关。
Resource-based view points out the possession of "heterogeneity" core resource is potential critical to the corporation to obtain competition advantage.
资源基础理论认为企业拥有“异质性”的核心资源是获得竞争优势的关键。
And how to develop potential customers into real customers is a core problem for modern enterprises to solve in order to expand their markets.
而如何把潜在顾客转化为现实顾客，是现代企业进一步把市场做大的核心问题。
And how to develop potential customers into real customers is a core problem for modern enterprises to solve in order to expand their markets.
而如何把潜在顾客转化为现实顾客，是现代企业进一步把市场做大的核心问题。
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