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	Theoretical studies for the infrared spectra of Ar-CO2 complex: Fundamental and combination bands 期刊论文 OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 204, 页码: 308-316 作者: Zhao, Aiqing; Shi, Lipeng; Tian, Yanshan; Zheng, Limin; Zheng, Rui \| 收藏 \| 浏览/下载：41/0 \| 提交时间：2018/11/05 Ar-co2 Complex Potential Energy Surfaces Intermolecular Vibrational Modes Fundamental Band Combination Bands
	SIZE EFFECTS AT NANO-SCALE: GOVERNING MECHANISM AND EFFICIENT SIMULATIONS 会议论文 OAI收割 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011), Shanghai, PEOPLES R CHINA, MAY 22-26, 2011 作者: Bai YL(白以龙); Yang R(杨荣); Xiao P(肖攀); Tang YZ(唐溢哲) 收藏 \| 浏览/下载：54/0 \| 提交时间：2012/04/01 size effect nano-scale intermolecular potential MST/CST efficient simulation
	Stacking of polycyclic aromatic hydrocarbons as prototype for graphene multilayers, studied using density functional theory augmented with a dispersion term 期刊论文 OAI收割 Journal of Chemical Physics, 2009, 卷号: 131, 期号: 19 C. Feng, C. S. Lin, W. Fan, R. Q. Zhang and M. A. Van Hove 收藏 \| 浏览/下载：24/0 \| 提交时间：2012/11/06 binding energy density functional theory energy gap graphene multilayers photoluminescence pi-pi interactions potential-energy surface benzene dimer ab-initio intermolecular interactions electronic-properties crystal-structure bilayer graphene graphite simulation
	Theoretical studies of potential energy surface and rotational spectra of Xe-H(2)O van der Waals complex 期刊论文 OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 17 作者: Wang, Lin; Yang, Minghui 收藏 \| 浏览/下载：30/0 \| 提交时间：2015/10/13 ab initio calculations bound states coupled cluster calculations excited states ground states hydrogen bonds intermolecular mechanics isotope shifts potential energy surfaces quadrupole coupling quasimolecules rotational states water xenon