Uncontracted core Pople basis sets in vibrational frequency calculations

机译：未经判断的核心龙核仪表在振动频率计算中

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Abstract > The effects that uncontracting the core 1 s basis functions in the Pople basis sets have on the calculation of harmonic vibrational frequencies, scaling factors, and anharmonic frequencies are examined for a selection of hybrid and meta‐hybrid density functional theory methods across a wide range of molecules. Median improvements of around half a wavenumber indicate that uncontracting the core functions provides modest improvements for harmonic calculations. The importance of these core functions is found to increase when using meta‐hybrid or anharmonic methods. The core functions are also found to be particularly important for several types of vibrational coordinate, including some carbonyl and carbon‐nitrogen stretching modes, where interaction between the uncontracted 1 s functions and triple‐ζ 2 s functions appear to play a significant role. Extra core functions are also particularly important for anharmonic second‐order perturbation theory calculations involving alkyne molecule bending modes, where individual transitions can change by as much as 230 wavenumbers. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><抽象类型= “主要” 的xml：郎= “EN”> <标题类型= “主”>抽象</ TITLE> >在效应uncontracting芯1 <I>取值</ i>的基函数在波普基组对谐波振动频率，换算因子的计算，和非谐频率被检查的选择混合和在很宽的范围内的分子间杂交密度泛函理论方法。中位数改进约有半波数表明uncontracting的核心功能提供了谐波计算适度改善。这些核心功能的重要性是发现使用元混合或非调谐方法时增加。核心功能也发现可用于几种类型的振动坐标，包括一些羰基和碳 - 氮拉伸模式，其中间相互作用的未收缩1 <I>取值</ i>的功能和三重ζ2的特别重要小号</ i>的功能似乎发挥显著作用。额外核心功能也涉及炔分子弯曲模式，其中单个转换可以由多达230波数改变非谐第二阶微扰理论的计算尤其重要。 </ p> </ abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-21753/'>《International Journal of Quantum Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第22期</span><b style="margin: 0 2px;">|</b><span>共11页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Hanson‐Heine Magnus W. D.&option=202" target="_blank" rel="nofollow">Hanson‐Heine Magnus W. D.;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>School of ChemistryUniversity of NottinghamNottingham United Kingdom;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/1186.html" title="物理化学（理论化学）、化学物理学">物理化学（理论化学）、化学物理学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Anharmonic&option=203" rel="nofollow">Anharmonic;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=core basis functions&option=203" rel="nofollow">core basis functions;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=infrared&option=203" rel="nofollow">infrared;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Pople basis set&option=203" rel="nofollow">Pople basis set;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=vibration&option=203" rel="nofollow">vibration;</a> </p> <div class="translation"> 机译：努力;核心基函数;红外线;Pople基础集;振动; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704019755881.html">Uncontracted core Pople basis sets in vibrational frequency calculations</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Hanson‐Heine Magnus W. D.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Hanson‐Heine Magnus W. D. </a> <a href="/journal-foreign-21753/" target="_blank" rel="nofollow" class="tuijian_authcolor">International Journal of Quantum Chemistry .</a> <span>2018</span><span>,第22期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：未经判断的核心龙核仪表在振动频率计算中</span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704019755852.html">Uncontracted basis sets for ab initio calculations of muonic atoms and molecules</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Ugandi Mihkel&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Ugandi Mihkel,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Fdez. Galván Ignacio&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Fdez. Galván Ignacio,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Widmark Per‐Olof&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Widmark Per‐Olof,</a> <a href="/journal-foreign-21753/" target="_blank" rel="nofollow" class="tuijian_authcolor">International Journal of Quantum Chemistry .</a> <span>2018</span><span>,第21期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：对AB初始算法和分子的AB Initio计算的未判断基集</span> </p> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704013873162.html">Anharmonic Vibrational Frequency Calculations Are Not Worthwhile for Small Basis Sets</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Ruth L. Jacobsen&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Ruth L. Jacobsen,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Russell D. Johnson III&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Russell D. Johnson III,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Karl K. Irikura&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Karl K. Irikura </a> <a href="/journal-foreign-33909/" target="_blank" rel="nofollow" class="tuijian_authcolor">Journal of chemical theory and computation: JCTC .</a> <span>2013</span><span>,第2期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：小基数集的非谐振动频率计算不值得</span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/academic-conference-foreign_meeting-288449_thesis/0705017399744.html">Study on the Characteristics of Low-Frequency Vibration of the Core of Single Phase Transformer Set Caused by GIC</a> <b>[C]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Pei Xiaoran&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Pei Xiaoran,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Liu Lianguang&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Liu Lianguang </a> <a href="/conference-foreign-288449/" target="_blank" rel="nofollow" class="tuijian_authcolor">International Conference on Intelligent Mechanics and Materials Engineering .</a> <span>2015</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：GIC引起的单相变压器组芯的低频振动特性研究</span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/academic-degree-foreign_mphd_thesis/02061538670.html">A COMPARISON OF PARISER-PARR-POPLE CALCULATIONS ON FURAN WITH NDDO(+ NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP) CALCULATIONS ON FURAN AND PYRROLE INCLUDING A COMPARISON WITH AB INITIO AND OTHER SEMIEMPIRICAL METHODS.</a> <b>[D] </b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=LAND, DONALD RICHARD.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">LAND, DONALD RICHARD. </a> <span>1975</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：FURAN上的PPARSER-PARER-POPLE计算与NDDO（+径向差异交叠法）计算的FURAN和吡咯计算的比较，包括与AB INTIIO和其他SEM方法的比较。</span> </p> </li> <li> <div> <b>6. </b><a class="enjiyixqcontent" href="/academic-journal-foreign-pmc_springer-open-choice_thesis/040005018738.html">Predicting the structure and vibrational frequencies of ethylene using harmonic and anharmonic approaches at the Kohn–Sham complete basis set limit</a> <b>[O] </b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Aneta Buczek&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Aneta Buczek,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Teobald Kupka&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Teobald Kupka,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Małgorzata A. Broda&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Małgorzata A. Broda,</a> <span>-1</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：在Kohn-Sham完整基集极限下使用谐波和非谐波方法预测乙烯的结构和振动频率</span> </p> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" href="/open-access_resources_thesis/0100048413915.html">Assessment of different basis sets and DFT functionals for the calculation of structural parameters, vibrational modes and ligand binding energies of Zr4O2(carboxylate)12 clusters</a> <b>[O] </b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kreutzer Johannes&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Kreutzer Johannes,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Blaha Peter&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Blaha Peter,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Schubert Ulrich&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Schubert Ulrich </a> <span>2016</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：评估不同的基集和DFT功能以计算Zr4O2（羧酸盐）12团簇的结构参数，振动模式和配体结合能</span> </p> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/academic-journal-cn_acoustics-vibration_thesis/0201264610055.html">等效刚度法在车体垂向振动频率计算中的应用研究</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张萌1&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 张萌1</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张硕韶2&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,张硕韶2</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=孙海荣2&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,孙海荣2</a> <span> <a href="/journal-cn-38890/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 声学与振动 </a> </span> <span> . 2016</span><span>,第003期</span> </span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/academic-journal-cn_mechanical-engineer_thesis/0201224206772.html">瑞利法在耦合系统振动固有频率计算中的应用</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=廖剑晖&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 廖剑晖</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=贺寅彪&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,贺寅彪</a> <span> <a href="/journal-cn-8235/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 机械工程师 </a> </span> <span> . 2014</span><span>,第007期</span> </span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/academic-journal-cn_journal-sichuan-university-science-engineering-natural-edition_thesis/0201250533229.html">MATLAB在转子振动固有频率计算中的应用</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=郭春华&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 郭春华</a> <span> <a href="/journal-cn-4698/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 四川理工学院学报（自然科学版） </a> </span> <span> . 2001</span><span>,第004期</span> </span> </div> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/academic-journal-cn_internal-combustion-engine-parts_thesis/0201228584368.html">活塞环振动对密封影响及振动频率计算</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=李春荣&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 李春荣</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=杨胜强&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,杨胜强</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=金旭峰&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,金旭峰</a> <span> <a href="/journal-cn-8397/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 内燃机与配件 </a> </span> <span> . 2014</span><span>,第008期</span> </span> </div> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/academic-journal-cn_internal-combustion-engine-parts_thesis/0201228584398.html">活塞环振动对密封影响及振动频率计算</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=李春荣&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 李春荣</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=杨胜强&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,杨胜强</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=金旭峰&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,金旭峰</a> <span> <a href="/journal-cn-8397/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 内燃机与配件 </a> </span> <span> . 2014</span><span>,第008期</span> </span> </div> </li> <li> <div> <b>6. </b><a class="enjiyixqcontent" href="/academic-conference-cn_meeting-11977_thesis/02022518511.html">浅谈核仪表和核仪表安装设计</a> <b>[C]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=李睿&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 李睿</a> <span> <a href="/conference-cn-11977/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 中国仪器仪表学会东北过程自动化设计专业委员会第二十次年会暨2010年学术会议 </a> <span> <span> . 2010</span> </span> </div> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" href="/academic-degree-domestic_mphd_thesis/0203162286.html">核态池沸腾中汽化核心密度和汽化核心处温度波动的研究</a> <b>[A] </b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=贾涛&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 贾涛</a> <span> . 2006</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/06120100397764.html">一种核级仪表连接器组件及带插头的核级仪表线缆组件</a> <b>[P]</b> . <span> 中国专利： CN109473807A </span> <span> . 2019-03-15</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/06120209471574.html">核级仪表连接器组件及带插头的核级仪表线缆组件</a> <b>[P]</b> . <span> 中国专利： CN209472128U </span> <span> . 2019-10-08</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130403978110.html">METHOD FOR CONTROLLING AN UNCONTRACTED AIRCRAFT, UNCONTRACTED AIRCRAFT, AND METHOD FOR ESTABLISHING A SET OF SOIL CONTROL POINTS IN A WORKSHOP</a> <b>[P]</b> . <span> 外国专利：  BR102018015133A2 </span> <span> . 2019-04-16</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：控制无约束力的飞机的方法，无约束力的飞机和建立车间中土壤控制点的方法 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130429131925.html">Stops e.g. anti-vibration stops, for motor vehicle, has cores fixed in blocks, where geometry and nature of materials of cores and blocks are chosen in manner to produce dampening of vibrations in all or part of determined frequency domain</a> <b>[P]</b> . <span> 外国专利：  FR2926862A1 </span> <span> . 2009-07-31</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：停止例如对于汽车，防振止动件具有固定在块中的芯，其中，选择芯和块的材料的几何形状和性质以在确定的全部或部分频域中产生振动衰减的方式 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130400892352.html">METHOD FOR PRECISELY PREDICTING AMOUNT OF POWER GENERATION ON BASIS OF EXPECTED VALUE CALCULATION, SYSTEM FOR PRECISELY PREDICTING AMOUNT OF POWER GENERATION ON BASIS OF EXPECTED VALUE CALCULATION, AND PROGRAM FOR PRECISELY PREDICTING AMOUNT OF POWER GENERATION ON BASIS OF EXPECTED VALUE CALCULATION</a> <b>[P]</b> . <span> 外国专利：  WO2020148941A1 </span> <span> . 2020-07-23</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：根据期望值计算来精确预测发电量的方法，基于期望值计算来精确预测发电量的系统以及根据期望值计算来精确预测发电量的程序 </span> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: auto;display:none"> <h3 class="all_title" id="enpatent55">相关主题</h3> <ul id="subject"> </ul> </div> </div> </div> </div> <div class="right rightcon"> <div class="details_img cardcommon clearfix" style="margin-bottom: 10px;display:none;" > </div> </div> </div> <div id="thesis_get_original1" class="downloadBth" style="bottom: 19px;z-index: 999;" onclick="ywcd('0704019755881','4',7,2,1,'',this,24)" class="delivery" prompt="010401" title="通过人工服务将文献原文发送至邮箱" >获取原文</div> <div class="journalsub-pop-up" style="display: none"> <div class="journal-sub"> <h2>期刊订阅</h2> <img src="https://cdn.zhangqiaokeyan.com/img/loginclose.png" alt="" onclick="$('.journalsub-pop-up').hide()"> <p class="pardon">抱歉，该期刊暂不可订阅，敬请期待！</p> <p class="current">目前支持订阅全部北京大学中文核心（2020）期刊目录。</p> <div style="display: flex;margin-top: 69px;justify-content: space-between;"> <div class="no-sub" onclick="$('.journalsub-pop-up').hide()">暂不订阅</div> <div class="other-sub" onclick="continueSub('from=pc-detail')">继续订阅其他期刊</div> </div> </div> </div> <div class="right_btn"> <ul> <li class="gouwuche">  </li> <li class="yijian"> <a href="javascript:void(0);" onclick="link_analysis('/mycenter/auth/complaint.html',this)">意见反馈</a> </li> <li class="top"> <a href="javascript:scrollTo(0,0);">回到顶部</a> </li> <li class="shouye"> <a href="/">回到首页</a> </li> </ul> </div> <div class="xllindexfooter"> <div class="xllindexfootercenter"> <div class="xllindexfooterleft left" > <div class="xllindexfooterleftli"> <ul> <li><a href="/about.html">关于掌桥</a></li> <li><a href="/help/helpmap.html">资源导航</a></li> <li><a href="/help/helpguide.html">新手指南</a></li> <li><a href="/help/helpcenter.html">常见问题</a></li> <li><a href="/sitemap.html">网站地图</a></li> <li><a href="/help/helpcenter.html?type=9">版权声明</a></li> </ul> </div> <div class="xllindexfooterleft"> <p class="xllindexfooterlefteamil">客服邮箱：kefu@zhangqiaokeyan.com</p> <div class="xllindexfooterlefttcp"> <div class="xllindexfooterpoliceiimg"></div> <div class="xllindexfooterpoliceispan"> <span>京公网安备：11010802029741号 </span> <span>ICP备案号：<a href="https://beian.miit.gov.cn" rel="nofollow" target="_blank">京ICP备15016152号-6</a></span> <span>六维联合信息科技 (北京) 有限公司©版权所有</span> </div> </div> </div> </div> <div class="xllindexfooterright left"> <ul> <li> <p style="font-weight: bold;">客服微信</p> <div></div> </li> <li> <p style="font-weight: bold;">服务号</p> <div></div> </li> </ul> </div> </div> </div> <span id="0704019755881down" data-source="7," data-out-id="VSaORLx6M1T4EByMxSpI9SeLdSwPvcNLhhbviIEKPqxrYO8Dpb3eNN+jdLr9OmP5," data-f-source-id="7" data-title="Uncontracted core Pople basis sets in vibrational frequency calculations" data-price="20" data-site-name="" data-transnum="24" style="display:none;"></span> <input type="hidden" value="4" id="sourcetype"> <input type="hidden" value="21753" id="journalid"> <input type="hidden" value="1" id="inyn_provide_service_level"> <input type="hidden" value="https://cdn.zhangqiaokeyan.com" id="imgcdn"> <input type="hidden" value="1" id="isdeatail"> <input type="hidden" value="" id="syyn_indexed_database"> <input type="hidden" value="" id="servicetype"> <input type="hidden" id="pagename" value="Uncontracted core Pople basis sets in vibrational frequency calculations"/> <input type="hidden" value="thesis_get_original" id="pageIdentification"> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/jquery-1.12.4.js"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/common/lwlh_ajax.js"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/zq.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/common/common.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/jquery.cookie.js"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/top.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/common/tip.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/common/login.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/common/down.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/common/search.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/searchtype.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/user/regist.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/zxs_solor/detail.js?v=5.7.7"></script> <script type="text/javascript" src="https://www.zhangqiaokeyan.com/statistics/static/pagecollection.js"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/tj.js"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/pushbaidu.js"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/common/history.js"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/util/cookie.js?v=5.7.7"></script> <script type="text/javascript" src="https://cdn.zhangqiaokeyan.com/js/weipu/weipu.js?v=5.7.7"></script> </body> <script> $(function(){ var weiPuStatus = getCookie('WeiPuStatus'); if(weiPuStatus){ tipWeiPuStatus(weiPuStatus); delCookie('WeiPuStatus'); } getFacetKeywordVoInId(); var sourcetype = $("#sourcetype").val(); var inyn_provide_service_level = $("#inyn_provide_service_level").val(); if((sourcetype ==1||sourcetype==4)&&inyn_provide_service_level!=4){ getJournal(); } }) </script> </html>