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浏览/检索结果: 共7条，第1-7条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 卷号: 15, 期号: 3, 页码: 1761-1776 作者:  Cremer, Dieter;  Tian, Chuan;  Qiu, Yue;  Verma, Niraj;  Sethio, Daniel 收藏  |  浏览/下载：46/0  |  提交时间：2019/11/10 Odd-even effect of the number of free valence electrons on the electronic structure properties of gold-thiolate clusters. 期刊论文 Molecular Physics, 2019, 卷号: Vol.117 No.9-12, 页码: 1442-1450 作者:  Li, Yanle;  Liu, Chunyan;  Oliveira, Vytor;  Cremer, Dieter;  Chen, Zijia 收藏  |  浏览/下载：10/0  |  提交时间：2019/12/17 bond strength order  clustering analysis  Gold-thiolate clusters  principal component analysis   Odd-even effect of the number of free valence electrons on the electronic structure properties of gold-thiolate clusters 期刊论文 Molecular Physics, 2019, 卷号: Vol.117 No.9-12, 页码: 1442-1450 作者:  Yanle Li;  Chunyan Liu;  Vytor Oliveira;  Dieter Cremer;  Zijia Chen 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/17 Gold-thiolate clusters  bond strength order  principal component analysis  clustering analysis   Description of an unusual hydrogen bond between carborane and a phenyl group 期刊论文 JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2018, 卷号: 865, 页码: 114-127 作者:  Zou, Wenli;  Zhang, Xiaolei;  Dai, Humin;  Yan, Hong;  Cremer, Dieter 收藏  |  浏览/下载：55/0  |  提交时间：2018/10/08 B-H center dot center dot center dot pi H-Bond  Synthesis of Ir-Phosphine complexes  Borane-benzene complexes  Local stretching force constants  Bond strength orders  Energy density H(r)   Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 卷号: 14, 期号: 5, 页码: 2558-2569 作者:  Tao, Yunwen;  Tian, Chuan;  Verma, Niraj;  Zou, Wenli;  Wang, Chao 收藏  |  浏览/下载：18/0  |  提交时间：2019/08/23 Odd-even effect of the number of free valence electrons on the electronic structure properties of gold-thiolate clusters 期刊论文 Molecular Physics, 2018 作者:  Li, Yanle;  Liu, Chunyan;  Oliveira, Vytor;  Cremer, Dieter;  Chen, Zijia 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/26